1-methyl-N-(3-methyl-1-phenylbutyl)piperidin-4-amine

C17H28N2 — CID 43216052

IUPAC1-methyl-N-(3-methyl-1-phenylbutyl)piperidin-4-amine
SMILESCC(C)CC(NC1CCN(C)CC1)c1ccccc1
InChIInChI=1S/C17H28N2/c1-14(2)13-17(15-7-5-4-6-8-15)18-16-9-11-19(3)12-10-16/h4-8,14,16-18H,9-13H2,1-3H3
InChIKeyKWSRWBWWSWNFDX-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.46
Rot. Bonds5

About 1-methyl-N-(3-methyl-1-phenylbutyl)piperidin-4-amine

1-methyl-N-(3-methyl-1-phenylbutyl)piperidin-4-amine (PubChem CID 43216052) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-methyl-N-(3-methyl-1-phenylbutyl)piperidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-(3-methyl-1-phenylbutyl)piperidin-4-amine
PubChem CID43216052
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-methyl-N-(3-methyl-1-phenylbutyl)piperidin-4-amine
SMILESCC(C)CC(NC1CCN(C)CC1)c1ccccc1
InChIInChI=1S/C17H28N2/c1-14(2)13-17(15-7-5-4-6-8-15)18-16-9-11-19(3)12-10-16/h4-8,14,16-18H,9-13H2,1-3H3
InChIKeyKWSRWBWWSWNFDX-UHFFFAOYSA-N
XLogP3.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-(3-methyl-1-phenylbutyl)cyclohexane-1,4-diamine
CID 62313676
3-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]-1-phenylbutan-1-amine
CID 43711931
4-[(3-methyl-1-phenylbutyl)amino]cyclohexane-1-carboxylic acid
CID 65054767
N-benzhydryl-1-methylpiperidin-4-amine;dihydrochloride
CID 134094585
1-methyl-N-[(1S)-1-phenylethyl]azepan-4-amine
CID 81350289
N-(1,2-diphenylethyl)-1-methylpyrrolidin-3-amine
CID 61462426
1-benzyl-N-(3-methyl-1-phenylbutyl)piperidin-3-amine
CID 113223834
N-(1-phenylpropyl)-1-propan-2-ylpiperidin-4-amine
CID 43206638
N-(2-methoxy-1-phenylethyl)-1-methylpyrrolidin-3-amine
CID 103902264
(2S)-2-[[1-(2-methylpropyl)piperidin-4-yl]amino]-2-phenylethanol
CID 103783988
N-(2,2-dimethyl-1-phenylpropyl)-1-methylpiperidin-4-amine
CID 43693262
N-[(2S)-2-hydrazinyl-2-phenylethyl]-1-methylpiperidin-4-amine
CID 126609529

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(3-methyl-1-phenylbutyl)piperidin-4-amine?
The IUPAC name of 1-methyl-N-(3-methyl-1-phenylbutyl)piperidin-4-amine (CID 43216052) is 1-methyl-N-(3-methyl-1-phenylbutyl)piperidin-4-amine.
What is the SMILES notation for 1-methyl-N-(3-methyl-1-phenylbutyl)piperidin-4-amine?
The canonical SMILES for 1-methyl-N-(3-methyl-1-phenylbutyl)piperidin-4-amine is CC(C)CC(NC1CCN(C)CC1)c1ccccc1.
What is the InChIKey of 1-methyl-N-(3-methyl-1-phenylbutyl)piperidin-4-amine?
The InChIKey is KWSRWBWWSWNFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-14(2)13-17(15-7-5-4-6-8-15)18-16-9-11-19(3)12-10-16/h4-8,14,16-18H,9-13H2,1-3H3.
What are the key properties of 1-methyl-N-(3-methyl-1-phenylbutyl)piperidin-4-amine?
1-methyl-N-(3-methyl-1-phenylbutyl)piperidin-4-amine has a molecular weight of 260.43 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(3-methyl-1-phenylbutyl)piperidin-4-amine is sourced from PubChem (CID 43216052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).