4-methyl-1-(3-phenylbutan-2-yl)piperidine

C16H25N — CID 176713457

IUPAC4-methyl-1-(3-phenylbutan-2-yl)piperidine
SMILESCC1CCN(C(C)C(C)c2ccccc2)CC1
InChIInChI=1S/C16H25N/c1-13-9-11-17(12-10-13)15(3)14(2)16-7-5-4-6-8-16/h4-8,13-15H,9-12H2,1-3H3
InChIKeyFPLFJVUMSNHJAL-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.91
Rot. Bonds3

About 4-methyl-1-(3-phenylbutan-2-yl)piperidine

4-methyl-1-(3-phenylbutan-2-yl)piperidine (PubChem CID 176713457) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 4-methyl-1-(3-phenylbutan-2-yl)piperidine.

Molecular Properties

Compound Name4-methyl-1-(3-phenylbutan-2-yl)piperidine
PubChem CID176713457
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name4-methyl-1-(3-phenylbutan-2-yl)piperidine
SMILESCC1CCN(C(C)C(C)c2ccccc2)CC1
InChIInChI=1S/C16H25N/c1-13-9-11-17(12-10-13)15(3)14(2)16-7-5-4-6-8-16/h4-8,13-15H,9-12H2,1-3H3
InChIKeyFPLFJVUMSNHJAL-UHFFFAOYSA-N
XLogP3.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-methylpiperidin-1-yl)-1-phenylpropan-1-amine
CID 16781161
2-(3-methylpyrrolidin-1-yl)-3-phenylbutan-1-amine
CID 61222019
2-(4-methylpiperidin-1-yl)-2-phenylacetic acid chloride
CID 53350421
1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
CID 103495028
2-(3-methylpiperidin-1-yl)-3-phenylbutan-1-amine
CID 61099951
2-(4-ethylpiperidin-1-yl)-3-phenylbutan-1-amine
CID 61421182
2-(3-methylpyrrolidin-1-yl)-1,2-diphenylethanamine
CID 61226976
2-methyl-N-[2-(3-methylpyrrolidin-1-yl)-2-phenylethyl]propan-1-amine
CID 62428755
1-(1,1-difluoropropan-2-yl)-4-methylpiperidine
CID 126716416
(3R)-3-methyl-1-[(1S)-1-phenylethyl]piperidine
CID 145119255
1-(1-phenylethyl)piperidin-4-amine
CID 12641844
(2S)-N-carbamoyl-2-(4-methylpiperidin-1-yl)-2-phenylacetamide
CID 8557740

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(3-phenylbutan-2-yl)piperidine?
The IUPAC name of 4-methyl-1-(3-phenylbutan-2-yl)piperidine (CID 176713457) is 4-methyl-1-(3-phenylbutan-2-yl)piperidine.
What is the SMILES notation for 4-methyl-1-(3-phenylbutan-2-yl)piperidine?
The canonical SMILES for 4-methyl-1-(3-phenylbutan-2-yl)piperidine is CC1CCN(C(C)C(C)c2ccccc2)CC1.
What is the InChIKey of 4-methyl-1-(3-phenylbutan-2-yl)piperidine?
The InChIKey is FPLFJVUMSNHJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-13-9-11-17(12-10-13)15(3)14(2)16-7-5-4-6-8-16/h4-8,13-15H,9-12H2,1-3H3.
What are the key properties of 4-methyl-1-(3-phenylbutan-2-yl)piperidine?
4-methyl-1-(3-phenylbutan-2-yl)piperidine has a molecular weight of 231.38 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(3-phenylbutan-2-yl)piperidine is sourced from PubChem (CID 176713457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).