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3-(piperidin-1-yl)propyl 4-amino-5-chloro-2-methoxybenzoate hydrochloride

3-(piperidin-1-yl)propyl 4-amino-5-chloro-2-methoxybenzoate hydrochloride

CAS: 149719-06-2

Formula: C16H24Cl2N2O3

SMILES: Cl.COC1=CC(N)=C(Cl)C=C1C(=O)OCCCN1CCCCC1

IUPAC: 3-(piperidin-1-yl)propyl 4-amino-5-chloro-2-methoxybenzoate hydrochloride

InChI: InChI=1S/C16H23ClN2O3.ClH/c1-21-15-11-14(18)13(17)10-12(15)16(20)22-9-5-8-19-6-3-2-4-7-19;/h10-11H,2-9,18H2,1H3;1H

Composition: C (52.90%), H (6.66%), Cl (19.52%), N (7.71%), O (13.21%)

Molar Mass: 363.28

Atom Count: 47

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 362.116398
Formal Charge 0
FSP3 0.56
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey QLZLBYYNMGQIAR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 89.08
Topological Polar Surface Area 64.79
Polarizability 33.99
Ring Count 2
Rotatable Bond Count 7

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