4-[(3-chloro-4-cyclopentyloxyphenyl)methyl]piperidine

C17H24ClNO — CID 117474203

IUPAC4-[(3-chloro-4-cyclopentyloxyphenyl)methyl]piperidine
SMILESClc1cc(CC2CCNCC2)ccc1OC1CCCC1
InChIInChI=1S/C17H24ClNO/c18-16-12-14(11-13-7-9-19-10-8-13)5-6-17(16)20-15-3-1-2-4-15/h5-6,12-13,15,19H,1-4,7-11H2
InChIKeyQTOSSCYCSGJFQI-UHFFFAOYSA-N
MW293.84 g/mol
LogP4.20
Rot. Bonds4

About 4-[(3-chloro-4-cyclopentyloxyphenyl)methyl]piperidine

4-[(3-chloro-4-cyclopentyloxyphenyl)methyl]piperidine (PubChem CID 117474203) has the molecular formula C17H24ClNO and a molecular weight of 293.84 g/mol. Its IUPAC name is 4-[(3-chloro-4-cyclopentyloxyphenyl)methyl]piperidine.

Molecular Properties

Compound Name4-[(3-chloro-4-cyclopentyloxyphenyl)methyl]piperidine
PubChem CID117474203
Molecular FormulaC17H24ClNO
Molecular Weight293.84 g/mol
Exact Mass293.15
IUPAC Name4-[(3-chloro-4-cyclopentyloxyphenyl)methyl]piperidine
SMILESClc1cc(CC2CCNCC2)ccc1OC1CCCC1
InChIInChI=1S/C17H24ClNO/c18-16-12-14(11-13-7-9-19-10-8-13)5-6-17(16)20-15-3-1-2-4-15/h5-6,12-13,15,19H,1-4,7-11H2
InChIKeyQTOSSCYCSGJFQI-UHFFFAOYSA-N
XLogP4.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3,4-dichlorophenyl)methyl]azepane
CID 83261164
3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]pyrrolidine
CID 174896705
3-[2-methoxy-5-(piperidin-4-ylmethyl)phenoxy]piperidine
CID 117489948
1-(3-chloro-4-cyclopentyloxyphenyl)propan-2-ol
CID 115005691
(3S)-3-(2-chloro-4-ethylphenoxy)pyrrolidine
CID 86322321
3-(2-chloro-4-ethylphenoxy)piperidine;hydrochloride
CID 56830828
2-chloro-4-(cyclohexylmethyl)phenol;bis(2-[4-[2-chloro-4-(cyclohexylmethyl)phenoxy]piperidin-1-yl]-5-ethylpyrimidine);4-(cyclohexylmethyl)phenol;5-ethyl-2-(4-methylpiperidin-1-yl)pyrimidine;4-(piperidin-4-ylmethyl)phenol;hydrochloride
CID 162190755
4-[[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]piperidine
CID 117470870
3-chloro-6-(piperidin-4-ylmethyl)-1H-indole
CID 84803651
3-[2-chloro-4-[(3-chloro-4-cyclopentyloxyphenyl)methyl]phenoxy]pyrrolidine;3-[4-[(4-cyclopentyloxy-3-methylphenyl)methyl]-2-methylphenoxy]pyrrolidine;methane;1-methyl-3-[2-methyl-4-[[3-methyl-4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]phenoxy]pyrrolidine
CID 161435196
N-[(3-chloro-4-cycloheptyloxyphenyl)methyl]-2-methylpropan-2-amine
CID 82927497
3-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]piperidine
CID 117467787

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-4-cyclopentyloxyphenyl)methyl]piperidine?
The IUPAC name of 4-[(3-chloro-4-cyclopentyloxyphenyl)methyl]piperidine (CID 117474203) is 4-[(3-chloro-4-cyclopentyloxyphenyl)methyl]piperidine.
What is the SMILES notation for 4-[(3-chloro-4-cyclopentyloxyphenyl)methyl]piperidine?
The canonical SMILES for 4-[(3-chloro-4-cyclopentyloxyphenyl)methyl]piperidine is Clc1cc(CC2CCNCC2)ccc1OC1CCCC1.
What is the InChIKey of 4-[(3-chloro-4-cyclopentyloxyphenyl)methyl]piperidine?
The InChIKey is QTOSSCYCSGJFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO/c18-16-12-14(11-13-7-9-19-10-8-13)5-6-17(16)20-15-3-1-2-4-15/h5-6,12-13,15,19H,1-4,7-11H2.
What are the key properties of 4-[(3-chloro-4-cyclopentyloxyphenyl)methyl]piperidine?
4-[(3-chloro-4-cyclopentyloxyphenyl)methyl]piperidine has a molecular weight of 293.84 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-4-cyclopentyloxyphenyl)methyl]piperidine is sourced from PubChem (CID 117474203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).