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

C12H18Cl2N2 — CID 66873031

IUPAC4-[(4-chlorophenyl)methyl]piperidin-4-amine;hydrochloride
SMILESCl.NC1(Cc2ccc(Cl)cc2)CCNCC1
InChIInChI=1S/C12H17ClN2.ClH/c13-11-3-1-10(2-4-11)9-12(14)5-7-15-8-6-12;/h1-4,15H,5-9,14H2;1H
InChIKeyPWPWUWSSYHLEEY-UHFFFAOYSA-N
MW261.20 g/mol
LogP2.39
Rot. Bonds2

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

4-[(4-chlorophenyl)methyl]piperidin-4-amine;hydrochloride (PubChem CID 66873031) has the molecular formula C12H18Cl2N2 and a molecular weight of 261.20 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methyl]piperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methyl]piperidin-4-amine;hydrochloride
PubChem CID66873031
Molecular FormulaC12H18Cl2N2
Molecular Weight261.20 g/mol
Exact Mass260.08
IUPAC Name4-[(4-chlorophenyl)methyl]piperidin-4-amine;hydrochloride
SMILESCl.NC1(Cc2ccc(Cl)cc2)CCNCC1
InChIInChI=1S/C12H17ClN2.ClH/c13-11-3-1-10(2-4-11)9-12(14)5-7-15-8-6-12;/h1-4,15H,5-9,14H2;1H
InChIKeyPWPWUWSSYHLEEY-UHFFFAOYSA-N
XLogP2.39
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 52.39
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-amine;hydrochloride?
The IUPAC name of 4-[(4-chlorophenyl)methyl]piperidin-4-amine;hydrochloride (CID 66873031) is 4-[(4-chlorophenyl)methyl]piperidin-4-amine;hydrochloride.
What is the SMILES notation for 4-[(4-chlorophenyl)methyl]piperidin-4-amine;hydrochloride?
The canonical SMILES for 4-[(4-chlorophenyl)methyl]piperidin-4-amine;hydrochloride is Cl.NC1(Cc2ccc(Cl)cc2)CCNCC1.
What is the InChIKey of 4-[(4-chlorophenyl)methyl]piperidin-4-amine;hydrochloride?
The InChIKey is PWPWUWSSYHLEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2.ClH/c13-11-3-1-10(2-4-11)9-12(14)5-7-15-8-6-12;/h1-4,15H,5-9,14H2;1H.
What are the key properties of 4-[(4-chlorophenyl)methyl]piperidin-4-amine;hydrochloride?
4-[(4-chlorophenyl)methyl]piperidin-4-amine;hydrochloride has a molecular weight of 261.20 g/mol, XLogP of 2.39, 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-amine;hydrochloride is sourced from PubChem (CID 66873031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).