ethyl 4-{4-[(S)-(4-chlorophenyl)(pyridin-2-yl)methoxy]piperidin-1-yl}butanoate

ethyl 4-{4-[(S)-(4-chlorophenyl)(pyridin-2-yl)methoxy]piperidin-1-yl}butanoate

CAS: 190730-39-3

Formula: C23H29ClN2O3

SMILES: CCOC(=O)CCCN1CCC(CC1)O[C@@H](C1=CC=C(Cl)C=C1)C1=NC=CC=C1

IUPAC: ethyl 4-{4-[(S)-(4-chlorophenyl)(pyridin-2-yl)methoxy]piperidin-1-yl}butanoate

InChI: InChI=1S/C23H29ClN2O3/c1-2-28-22(27)7-5-15-26-16-12-20(13-17-26)29-23(21-6-3-4-14-25-21)18-8-10-19(24)11-9-18/h3-4,6,8-11,14,20,23H,2,5,7,12-13,15-17H2,1H3/t23-/m0/s1

Composition: C (66.26%), H (7.01%), Cl (8.50%), N (6.72%), O (11.51%)

Molar Mass: 416.95

Atom Count: 58

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	416.1866705
Formal Charge	0
FSP3	0.48
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	PNUAKDVREOZEKA-QHCPKHFHSA-N
Lipinski's Rule of Five	1
Molar Refractivity	114.62
Topological Polar Surface Area	51.66
Polarizability	45.23
Ring Count	3
Rotatable Bond Count	10

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