1-(3-methyl-1-phenylbutyl)piperidine;hydrochloride

C16H26ClN — CID 3056529

IUPAC1-(3-methyl-1-phenylbutyl)piperidine;hydrochloride
SMILESCC(C)CC(c1ccccc1)N1CCCCC1.Cl
InChIInChI=1S/C16H25N.ClH/c1-14(2)13-16(15-9-5-3-6-10-15)17-11-7-4-8-12-17;/h3,5-6,9-10,14,16H,4,7-8,11-13H2,1-2H3;1H
InChIKeyBVRYQKSOMOBKND-UHFFFAOYSA-N
MW267.84 g/mol
LogP4.68
Rot. Bonds4

About 1-(3-methyl-1-phenylbutyl)piperidine;hydrochloride

1-(3-methyl-1-phenylbutyl)piperidine;hydrochloride (PubChem CID 3056529) has the molecular formula C16H26ClN and a molecular weight of 267.84 g/mol. Its IUPAC name is 1-(3-methyl-1-phenylbutyl)piperidine;hydrochloride.

Molecular Properties

Compound Name1-(3-methyl-1-phenylbutyl)piperidine;hydrochloride
PubChem CID3056529
Molecular FormulaC16H26ClN
Molecular Weight267.84 g/mol
Exact Mass267.18
IUPAC Name1-(3-methyl-1-phenylbutyl)piperidine;hydrochloride
SMILESCC(C)CC(c1ccccc1)N1CCCCC1.Cl
InChIInChI=1S/C16H25N.ClH/c1-14(2)13-16(15-9-5-3-6-10-15)17-11-7-4-8-12-17;/h3,5-6,9-10,14,16H,4,7-8,11-13H2,1-2H3;1H
InChIKeyBVRYQKSOMOBKND-UHFFFAOYSA-N
XLogP4.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.84
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1-phenylbutyl)piperidine;hydrochloride?
The IUPAC name of 1-(3-methyl-1-phenylbutyl)piperidine;hydrochloride (CID 3056529) is 1-(3-methyl-1-phenylbutyl)piperidine;hydrochloride.
What is the SMILES notation for 1-(3-methyl-1-phenylbutyl)piperidine;hydrochloride?
The canonical SMILES for 1-(3-methyl-1-phenylbutyl)piperidine;hydrochloride is CC(C)CC(c1ccccc1)N1CCCCC1.Cl.
What is the InChIKey of 1-(3-methyl-1-phenylbutyl)piperidine;hydrochloride?
The InChIKey is BVRYQKSOMOBKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N.ClH/c1-14(2)13-16(15-9-5-3-6-10-15)17-11-7-4-8-12-17;/h3,5-6,9-10,14,16H,4,7-8,11-13H2,1-2H3;1H.
What are the key properties of 1-(3-methyl-1-phenylbutyl)piperidine;hydrochloride?
1-(3-methyl-1-phenylbutyl)piperidine;hydrochloride has a molecular weight of 267.84 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1-phenylbutyl)piperidine;hydrochloride is sourced from PubChem (CID 3056529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).