5-[4-(2-chlorophenyl)piperidin-1-yl]pentan-1-ol;hydrochloride

C16H25Cl2NO — CID 117067038

IUPAC5-[4-(2-chlorophenyl)piperidin-1-yl]pentan-1-ol;hydrochloride
SMILESCl.OCCCCCN1CCC(c2ccccc2Cl)CC1
InChIInChI=1S/C16H24ClNO.ClH/c17-16-7-3-2-6-15(16)14-8-11-18(12-9-14)10-4-1-5-13-19;/h2-3,6-7,14,19H,1,4-5,8-13H2;1H
InChIKeyJWBMOKBEJWXUJH-UHFFFAOYSA-N
MW318.29 g/mol
LogP4.10
Rot. Bonds6

About 5-[4-(2-chlorophenyl)piperidin-1-yl]pentan-1-ol;hydrochloride

5-[4-(2-chlorophenyl)piperidin-1-yl]pentan-1-ol;hydrochloride (PubChem CID 117067038) has the molecular formula C16H25Cl2NO and a molecular weight of 318.29 g/mol. Its IUPAC name is 5-[4-(2-chlorophenyl)piperidin-1-yl]pentan-1-ol;hydrochloride.

Molecular Properties

Compound Name5-[4-(2-chlorophenyl)piperidin-1-yl]pentan-1-ol;hydrochloride
PubChem CID117067038
Molecular FormulaC16H25Cl2NO
Molecular Weight318.29 g/mol
Exact Mass317.13
IUPAC Name5-[4-(2-chlorophenyl)piperidin-1-yl]pentan-1-ol;hydrochloride
SMILESCl.OCCCCCN1CCC(c2ccccc2Cl)CC1
InChIInChI=1S/C16H24ClNO.ClH/c17-16-7-3-2-6-15(16)14-8-11-18(12-9-14)10-4-1-5-13-19;/h2-3,6-7,14,19H,1,4-5,8-13H2;1H
InChIKeyJWBMOKBEJWXUJH-UHFFFAOYSA-N
XLogP4.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.29
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[4-(2-chlorophenyl)piperidin-1-yl]hexan-1-ol
CID 97355587
2-[4-(2-chlorophenyl)piperidin-1-yl]acetic acid
CID 82131899
1-[4-[4-(2-chlorophenyl)piperidin-1-yl]butyl]benzimidazole
CID 118386910
3-[2-(2-chlorophenyl)morpholin-4-yl]propan-1-ol
CID 110936045
5-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]pentan-1-ol
CID 110923848
3-(2-chlorophenyl)-1-methylazetidine
CID 167307075
4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]butan-1-ol
CID 110931478
4-[4-(2-fluoroanilino)piperidin-1-yl]butan-1-ol
CID 111496659
4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butan-1-ol
CID 110931575
6-phenylhexan-1-ol;1-(6-phenylhexyl)piperidine
CID 23016534
7-(1,3-dihydroisoindol-2-yl)heptan-1-ol
CID 165175514
6-[4-(hydroxymethyl)piperidin-1-yl]hexan-1-ol
CID 103737785

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-chlorophenyl)piperidin-1-yl]pentan-1-ol;hydrochloride?
The IUPAC name of 5-[4-(2-chlorophenyl)piperidin-1-yl]pentan-1-ol;hydrochloride (CID 117067038) is 5-[4-(2-chlorophenyl)piperidin-1-yl]pentan-1-ol;hydrochloride.
What is the SMILES notation for 5-[4-(2-chlorophenyl)piperidin-1-yl]pentan-1-ol;hydrochloride?
The canonical SMILES for 5-[4-(2-chlorophenyl)piperidin-1-yl]pentan-1-ol;hydrochloride is Cl.OCCCCCN1CCC(c2ccccc2Cl)CC1.
What is the InChIKey of 5-[4-(2-chlorophenyl)piperidin-1-yl]pentan-1-ol;hydrochloride?
The InChIKey is JWBMOKBEJWXUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO.ClH/c17-16-7-3-2-6-15(16)14-8-11-18(12-9-14)10-4-1-5-13-19;/h2-3,6-7,14,19H,1,4-5,8-13H2;1H.
What are the key properties of 5-[4-(2-chlorophenyl)piperidin-1-yl]pentan-1-ol;hydrochloride?
5-[4-(2-chlorophenyl)piperidin-1-yl]pentan-1-ol;hydrochloride has a molecular weight of 318.29 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-chlorophenyl)piperidin-1-yl]pentan-1-ol;hydrochloride is sourced from PubChem (CID 117067038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).