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3-chloro-2-[2-(piperidin-1-yl)ethoxy]aniline

3-chloro-2-[2-(piperidin-1-yl)ethoxy]aniline

CAS: 946714-57-4

Formula: C13H19ClN2O

SMILES: NC1=C(OCCN2CCCCC2)C(Cl)=CC=C1

IUPAC: 3-chloro-2-[2-(piperidin-1-yl)ethoxy]aniline

InChI: InChI=1S/C13H19ClN2O/c14-11-5-4-6-12(15)13(11)17-10-9-16-7-2-1-3-8-16/h4-6H,1-3,7-10,15H2

Composition: C (61.29%), H (7.52%), Cl (13.92%), N (11.00%), O (6.28%)

Molar Mass: 254.76

Atom Count: 36

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 254.1185909
Formal Charge 0
FSP3 0.54
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey WEXFBUSZOWANHQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 72.19
Topological Polar Surface Area 38.49
Polarizability 27.72
Ring Count 2
Rotatable Bond Count 4

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