benzyl [4,4'-bipiperidine]-1-carboxylate

benzyl [4,4'-bipiperidine]-1-carboxylate

CAS: 109397-72-0

Formula: C18H26N2O2

SMILES: O=C(OCC1=CC=CC=C1)N1CCC(CC1)C1CCNCC1

IUPAC: benzyl [4,4'-bipiperidine]-1-carboxylate

InChI: InChI=1S/C18H26N2O2/c21-18(22-14-15-4-2-1-3-5-15)20-12-8-17(9-13-20)16-6-10-19-11-7-16/h1-5,16-17,19H,6-14H2

Composition: C (71.49%), H (8.67%), N (9.26%), O (10.58%)

Molar Mass: 302.418

Atom Count: 48

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	302.199428085
Formal Charge	0
FSP3	0.61
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	ZYXVUJHYDUORFN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	87.57
Topological Polar Surface Area	41.57
Polarizability	34.39
Ring Count	3
Rotatable Bond Count	4

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