1-(2-methyl-1-phenylpropyl)piperidine;hydrochloride

C15H24ClN — CID 3056525

IUPAC1-(2-methyl-1-phenylpropyl)piperidine;hydrochloride
SMILESCC(C)C(c1ccccc1)N1CCCCC1.Cl
InChIInChI=1S/C15H23N.ClH/c1-13(2)15(14-9-5-3-6-10-14)16-11-7-4-8-12-16;/h3,5-6,9-10,13,15H,4,7-8,11-12H2,1-2H3;1H
InChIKeyXPTOYKXPABBBSD-UHFFFAOYSA-N
MW253.82 g/mol
LogP4.29
Rot. Bonds3

About 1-(2-methyl-1-phenylpropyl)piperidine;hydrochloride

1-(2-methyl-1-phenylpropyl)piperidine;hydrochloride (PubChem CID 3056525) has the molecular formula C15H24ClN and a molecular weight of 253.82 g/mol. Its IUPAC name is 1-(2-methyl-1-phenylpropyl)piperidine;hydrochloride.

Molecular Properties

Compound Name1-(2-methyl-1-phenylpropyl)piperidine;hydrochloride
PubChem CID3056525
Molecular FormulaC15H24ClN
Molecular Weight253.82 g/mol
Exact Mass253.16
IUPAC Name1-(2-methyl-1-phenylpropyl)piperidine;hydrochloride
SMILESCC(C)C(c1ccccc1)N1CCCCC1.Cl
InChIInChI=1S/C15H23N.ClH/c1-13(2)15(14-9-5-3-6-10-14)16-11-7-4-8-12-16;/h3,5-6,9-10,13,15H,4,7-8,11-12H2,1-2H3;1H
InChIKeyXPTOYKXPABBBSD-UHFFFAOYSA-N
XLogP4.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.82
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1-phenylpropyl)piperidine;hydrochloride?
The IUPAC name of 1-(2-methyl-1-phenylpropyl)piperidine;hydrochloride (CID 3056525) is 1-(2-methyl-1-phenylpropyl)piperidine;hydrochloride.
What is the SMILES notation for 1-(2-methyl-1-phenylpropyl)piperidine;hydrochloride?
The canonical SMILES for 1-(2-methyl-1-phenylpropyl)piperidine;hydrochloride is CC(C)C(c1ccccc1)N1CCCCC1.Cl.
What is the InChIKey of 1-(2-methyl-1-phenylpropyl)piperidine;hydrochloride?
The InChIKey is XPTOYKXPABBBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N.ClH/c1-13(2)15(14-9-5-3-6-10-14)16-11-7-4-8-12-16;/h3,5-6,9-10,13,15H,4,7-8,11-12H2,1-2H3;1H.
What are the key properties of 1-(2-methyl-1-phenylpropyl)piperidine;hydrochloride?
1-(2-methyl-1-phenylpropyl)piperidine;hydrochloride has a molecular weight of 253.82 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1-phenylpropyl)piperidine;hydrochloride is sourced from PubChem (CID 3056525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).