1-[3-(3-chlorophenoxy)-3-phenylpropyl]piperidine

C20H24ClNO — CID 71384087

IUPAC1-[3-(3-chlorophenoxy)-3-phenylpropyl]piperidine
SMILESClc1cccc(OC(CCN2CCCCC2)c2ccccc2)c1
InChIInChI=1S/C20H24ClNO/c21-18-10-7-11-19(16-18)23-20(17-8-3-1-4-9-17)12-15-22-13-5-2-6-14-22/h1,3-4,7-11,16,20H,2,5-6,12-15H2
InChIKeyJKFWEDVHKVUDMA-UHFFFAOYSA-N
MW329.87 g/mol
LogP5.34
Rot. Bonds6

About 1-[3-(3-chlorophenoxy)-3-phenylpropyl]piperidine

1-[3-(3-chlorophenoxy)-3-phenylpropyl]piperidine (PubChem CID 71384087) has the molecular formula C20H24ClNO and a molecular weight of 329.87 g/mol. Its IUPAC name is 1-[3-(3-chlorophenoxy)-3-phenylpropyl]piperidine.

Molecular Properties

Compound Name1-[3-(3-chlorophenoxy)-3-phenylpropyl]piperidine
PubChem CID71384087
Molecular FormulaC20H24ClNO
Molecular Weight329.87 g/mol
Exact Mass329.15
IUPAC Name1-[3-(3-chlorophenoxy)-3-phenylpropyl]piperidine
SMILESClc1cccc(OC(CCN2CCCCC2)c2ccccc2)c1
InChIInChI=1S/C20H24ClNO/c21-18-10-7-11-19(16-18)23-20(17-8-3-1-4-9-17)12-15-22-13-5-2-6-14-22/h1,3-4,7-11,16,20H,2,5-6,12-15H2
InChIKeyJKFWEDVHKVUDMA-UHFFFAOYSA-N
XLogP5.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.87
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[6-(3-chlorophenoxy)hexyl]piperidine
CID 2057716
1-[6-(3-chlorophenoxy)hexyl]azepane
CID 127038677
1-benzyl-4-[(3R)-3-(3-chlorophenyl)-3-(4-methoxyphenoxy)propyl]piperazine
CID 92998656
3-(azocan-1-yl)-1-(3-chlorophenyl)propan-1-amine
CID 62629736
4-[3-(3-methoxyphenoxy)-3-phenylpropyl]morpholine
CID 3074452
1-[3-(3-chlorophenyl)-3-(2-propan-2-ylphenoxy)propyl]-4-methylpiperazine
CID 42867979
1-chloro-3-[(1S)-1-phenylbut-3-enoxy]benzene
CID 122689566
1-(6,6-diphenylhexyl)piperidine
CID 161365973
2-(3-chlorophenyl)-4-pyrrolidin-1-ylbutan-1-amine
CID 44828758
4-[3-phenyl-3-[3-(trifluoromethyl)phenoxy]propyl]morpholine
CID 42867737
1-[2-[2-(3-chlorophenoxy)ethoxy]ethyl]piperidine
CID 2245896
1-(3,3-diphenylpropyl)azepane;hydrochloride
CID 3084164

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-chlorophenoxy)-3-phenylpropyl]piperidine?
The IUPAC name of 1-[3-(3-chlorophenoxy)-3-phenylpropyl]piperidine (CID 71384087) is 1-[3-(3-chlorophenoxy)-3-phenylpropyl]piperidine.
What is the SMILES notation for 1-[3-(3-chlorophenoxy)-3-phenylpropyl]piperidine?
The canonical SMILES for 1-[3-(3-chlorophenoxy)-3-phenylpropyl]piperidine is Clc1cccc(OC(CCN2CCCCC2)c2ccccc2)c1.
What is the InChIKey of 1-[3-(3-chlorophenoxy)-3-phenylpropyl]piperidine?
The InChIKey is JKFWEDVHKVUDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO/c21-18-10-7-11-19(16-18)23-20(17-8-3-1-4-9-17)12-15-22-13-5-2-6-14-22/h1,3-4,7-11,16,20H,2,5-6,12-15H2.
What are the key properties of 1-[3-(3-chlorophenoxy)-3-phenylpropyl]piperidine?
1-[3-(3-chlorophenoxy)-3-phenylpropyl]piperidine has a molecular weight of 329.87 g/mol, XLogP of 5.34, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-chlorophenoxy)-3-phenylpropyl]piperidine is sourced from PubChem (CID 71384087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).