4-[(4-chlorophenyl)methyl]piperidin-4-ol;hydrochloride

C12H17Cl2NO — CID 22768461

IUPAC4-[(4-chlorophenyl)methyl]piperidin-4-ol;hydrochloride
SMILESCl.OC1(Cc2ccc(Cl)cc2)CCNCC1
InChIInChI=1S/C12H16ClNO.ClH/c13-11-3-1-10(2-4-11)9-12(15)5-7-14-8-6-12;/h1-4,14-15H,5-9H2;1H
InChIKeyUHMIYZWVRUWKOC-UHFFFAOYSA-N
MW262.18 g/mol
LogP2.42
Rot. Bonds2

About 4-[(4-chlorophenyl)methyl]piperidin-4-ol;hydrochloride

4-[(4-chlorophenyl)methyl]piperidin-4-ol;hydrochloride (PubChem CID 22768461) has the molecular formula C12H17Cl2NO and a molecular weight of 262.18 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methyl]piperidin-4-ol;hydrochloride.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methyl]piperidin-4-ol;hydrochloride
PubChem CID22768461
Molecular FormulaC12H17Cl2NO
Molecular Weight262.18 g/mol
Exact Mass261.07
IUPAC Name4-[(4-chlorophenyl)methyl]piperidin-4-ol;hydrochloride
SMILESCl.OC1(Cc2ccc(Cl)cc2)CCNCC1
InChIInChI=1S/C12H16ClNO.ClH/c13-11-3-1-10(2-4-11)9-12(15)5-7-14-8-6-12;/h1-4,14-15H,5-9H2;1H
InChIKeyUHMIYZWVRUWKOC-UHFFFAOYSA-N
XLogP2.42
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methyl]piperidin-4-ol;hydrochloride?
The IUPAC name of 4-[(4-chlorophenyl)methyl]piperidin-4-ol;hydrochloride (CID 22768461) is 4-[(4-chlorophenyl)methyl]piperidin-4-ol;hydrochloride.
What is the SMILES notation for 4-[(4-chlorophenyl)methyl]piperidin-4-ol;hydrochloride?
The canonical SMILES for 4-[(4-chlorophenyl)methyl]piperidin-4-ol;hydrochloride is Cl.OC1(Cc2ccc(Cl)cc2)CCNCC1.
What is the InChIKey of 4-[(4-chlorophenyl)methyl]piperidin-4-ol;hydrochloride?
The InChIKey is UHMIYZWVRUWKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO.ClH/c13-11-3-1-10(2-4-11)9-12(15)5-7-14-8-6-12;/h1-4,14-15H,5-9H2;1H.
What are the key properties of 4-[(4-chlorophenyl)methyl]piperidin-4-ol;hydrochloride?
4-[(4-chlorophenyl)methyl]piperidin-4-ol;hydrochloride has a molecular weight of 262.18 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methyl]piperidin-4-ol;hydrochloride is sourced from PubChem (CID 22768461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).