3-(2-chloro-4-phenylphenoxy)piperidine;hydrochloride

C17H19Cl2NO — CID 56830793

IUPAC3-(2-chloro-4-phenylphenoxy)piperidine;hydrochloride
SMILESCl.Clc1cc(-c2ccccc2)ccc1OC1CCCNC1
InChIInChI=1S/C17H18ClNO.ClH/c18-16-11-14(13-5-2-1-3-6-13)8-9-17(16)20-15-7-4-10-19-12-15;/h1-3,5-6,8-9,11,15,19H,4,7,10,12H2;1H
InChIKeyKQVUJAMNJCBQAD-UHFFFAOYSA-N
MW324.25 g/mol
LogP4.56
Rot. Bonds3

About 3-(2-chloro-4-phenylphenoxy)piperidine;hydrochloride

3-(2-chloro-4-phenylphenoxy)piperidine;hydrochloride (PubChem CID 56830793) has the molecular formula C17H19Cl2NO and a molecular weight of 324.25 g/mol. Its IUPAC name is 3-(2-chloro-4-phenylphenoxy)piperidine;hydrochloride.

Molecular Properties

Compound Name3-(2-chloro-4-phenylphenoxy)piperidine;hydrochloride
PubChem CID56830793
Molecular FormulaC17H19Cl2NO
Molecular Weight324.25 g/mol
Exact Mass323.08
IUPAC Name3-(2-chloro-4-phenylphenoxy)piperidine;hydrochloride
SMILESCl.Clc1cc(-c2ccccc2)ccc1OC1CCCNC1
InChIInChI=1S/C17H18ClNO.ClH/c18-16-11-14(13-5-2-1-3-6-13)8-9-17(16)20-15-7-4-10-19-12-15;/h1-3,5-6,8-9,11,15,19H,4,7,10,12H2;1H
InChIKeyKQVUJAMNJCBQAD-UHFFFAOYSA-N
XLogP4.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.25
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(4-bromo-2-chlorophenoxy)piperidine
CID 86317840
3-(2-chloro-4-ethylphenoxy)piperidine;hydrochloride
CID 56830828
3-(4-chloro-2-phenylphenoxy)pyrrolidine;hydrochloride
CID 56830904
(3S)-3-(2,5-dichlorophenoxy)piperidine
CID 26191322
(3R)-3-phenoxypiperidine
CID 42553363
trans-(1S,2S)-2-(2-chloro-4-phenylphenoxy)cyclopentan-1-ol
CID 102735372
2-(2-chloro-4-phenylphenoxy)cyclopentan-1-ol
CID 60877836
3-(2-chloro-4-propan-2-ylphenoxy)pyrrolidine
CID 56830812
3-(2-iodophenoxy)piperidine
CID 56831165
2-[2-[[3-(4-chloro-3-piperidin-3-yloxyphenyl)benzoyl]amino]phenyl]acetic acid
CID 162658251
3-(2,4-dibromophenoxy)piperidine;hydrochloride
CID 53409178
(3R)-3-(4-chloro-2-propan-2-ylphenoxy)piperidine
CID 86322323

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-phenylphenoxy)piperidine;hydrochloride?
The IUPAC name of 3-(2-chloro-4-phenylphenoxy)piperidine;hydrochloride (CID 56830793) is 3-(2-chloro-4-phenylphenoxy)piperidine;hydrochloride.
What is the SMILES notation for 3-(2-chloro-4-phenylphenoxy)piperidine;hydrochloride?
The canonical SMILES for 3-(2-chloro-4-phenylphenoxy)piperidine;hydrochloride is Cl.Clc1cc(-c2ccccc2)ccc1OC1CCCNC1.
What is the InChIKey of 3-(2-chloro-4-phenylphenoxy)piperidine;hydrochloride?
The InChIKey is KQVUJAMNJCBQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO.ClH/c18-16-11-14(13-5-2-1-3-6-13)8-9-17(16)20-15-7-4-10-19-12-15;/h1-3,5-6,8-9,11,15,19H,4,7,10,12H2;1H.
What are the key properties of 3-(2-chloro-4-phenylphenoxy)piperidine;hydrochloride?
3-(2-chloro-4-phenylphenoxy)piperidine;hydrochloride has a molecular weight of 324.25 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-phenylphenoxy)piperidine;hydrochloride is sourced from PubChem (CID 56830793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).