1-[1-(4-chlorophenyl)propyl]piperidin-4-amine;hydrochloride

C14H22Cl2N2 — CID 119908754

IUPAC1-[1-(4-chlorophenyl)propyl]piperidin-4-amine;hydrochloride
SMILESCCC(c1ccc(Cl)cc1)N1CCC(N)CC1.Cl
InChIInChI=1S/C14H21ClN2.ClH/c1-2-14(11-3-5-12(15)6-4-11)17-9-7-13(16)8-10-17;/h3-6,13-14H,2,7-10,16H2,1H3;1H
InChIKeyRVWUVALNAMWIIY-UHFFFAOYSA-N
MW289.25 g/mol
LogP3.64
Rot. Bonds3

About 1-[1-(4-chlorophenyl)propyl]piperidin-4-amine;hydrochloride

1-[1-(4-chlorophenyl)propyl]piperidin-4-amine;hydrochloride (PubChem CID 119908754) has the molecular formula C14H22Cl2N2 and a molecular weight of 289.25 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)propyl]piperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)propyl]piperidin-4-amine;hydrochloride
PubChem CID119908754
Molecular FormulaC14H22Cl2N2
Molecular Weight289.25 g/mol
Exact Mass288.12
IUPAC Name1-[1-(4-chlorophenyl)propyl]piperidin-4-amine;hydrochloride
SMILESCCC(c1ccc(Cl)cc1)N1CCC(N)CC1.Cl
InChIInChI=1S/C14H21ClN2.ClH/c1-2-14(11-3-5-12(15)6-4-11)17-9-7-13(16)8-10-17;/h3-6,13-14H,2,7-10,16H2,1H3;1H
InChIKeyRVWUVALNAMWIIY-UHFFFAOYSA-N
XLogP3.64
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)propyl]piperidin-4-amine;hydrochloride?
The IUPAC name of 1-[1-(4-chlorophenyl)propyl]piperidin-4-amine;hydrochloride (CID 119908754) is 1-[1-(4-chlorophenyl)propyl]piperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-[1-(4-chlorophenyl)propyl]piperidin-4-amine;hydrochloride?
The canonical SMILES for 1-[1-(4-chlorophenyl)propyl]piperidin-4-amine;hydrochloride is CCC(c1ccc(Cl)cc1)N1CCC(N)CC1.Cl.
What is the InChIKey of 1-[1-(4-chlorophenyl)propyl]piperidin-4-amine;hydrochloride?
The InChIKey is RVWUVALNAMWIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2.ClH/c1-2-14(11-3-5-12(15)6-4-11)17-9-7-13(16)8-10-17;/h3-6,13-14H,2,7-10,16H2,1H3;1H.
What are the key properties of 1-[1-(4-chlorophenyl)propyl]piperidin-4-amine;hydrochloride?
1-[1-(4-chlorophenyl)propyl]piperidin-4-amine;hydrochloride has a molecular weight of 289.25 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)propyl]piperidin-4-amine;hydrochloride is sourced from PubChem (CID 119908754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).