[6-methyl-1-(1-phenylbutan-2-yl)piperidin-2-yl]methanamine

C17H28N2 — CID 79007703

IUPAC[6-methyl-1-(1-phenylbutan-2-yl)piperidin-2-yl]methanamine
SMILESCCC(Cc1ccccc1)N1C(C)CCCC1CN
InChIInChI=1S/C17H28N2/c1-3-16(12-15-9-5-4-6-10-15)19-14(2)8-7-11-17(19)13-18/h4-6,9-10,14,16-17H,3,7-8,11-13,18H2,1-2H3
InChIKeyULXLWGCDNRDCGC-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.21
Rot. Bonds5

About [6-methyl-1-(1-phenylbutan-2-yl)piperidin-2-yl]methanamine

[6-methyl-1-(1-phenylbutan-2-yl)piperidin-2-yl]methanamine (PubChem CID 79007703) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is [6-methyl-1-(1-phenylbutan-2-yl)piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[6-methyl-1-(1-phenylbutan-2-yl)piperidin-2-yl]methanamine
PubChem CID79007703
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name[6-methyl-1-(1-phenylbutan-2-yl)piperidin-2-yl]methanamine
SMILESCCC(Cc1ccccc1)N1C(C)CCCC1CN
InChIInChI=1S/C17H28N2/c1-3-16(12-15-9-5-4-6-10-15)19-14(2)8-7-11-17(19)13-18/h4-6,9-10,14,16-17H,3,7-8,11-13,18H2,1-2H3
InChIKeyULXLWGCDNRDCGC-UHFFFAOYSA-N
XLogP3.21
TPSA29.26 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 ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[6-methyl-1-(1-phenylbutan-2-yl)piperidin-3-yl]methanamine
CID 79007971
(2R,6S)-2,6-dimethyl-1-(2-methyl-3-phenylpropyl)piperidine
CID 70416000
2-benzyl-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-3-oxopropanethioamide
CID 104967487
(2-cyclobutyl-3-methylpentyl)benzene
CID 54503579
1-(1-phenylbutan-2-yl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678072
2-methyl-1-(1-phenylbutan-2-yl)pyrrolidine-3-carboxylic acid
CID 79383409
9-(1-phenylpropan-2-yl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 63011813
[1-(1-phenylpropyl)pyrrolidin-2-yl]methanamine
CID 115311606
4-[1-[2-(aminomethyl)-6-methylpiperidin-1-yl]ethyl]-3-fluorophenol
CID 107720769
N-(cyclopropylmethyl)-1-(1-phenylbutan-2-yl)piperidin-4-amine
CID 115307030
(2R)-1-(2-ethylpyrrolidin-1-yl)-3-phenylpropan-2-amine
CID 112736480
N-(1-cyclobutylethyl)-1-phenylbutan-2-amine
CID 115716509

Frequently Asked Questions

What is the IUPAC name of [6-methyl-1-(1-phenylbutan-2-yl)piperidin-2-yl]methanamine?
The IUPAC name of [6-methyl-1-(1-phenylbutan-2-yl)piperidin-2-yl]methanamine (CID 79007703) is [6-methyl-1-(1-phenylbutan-2-yl)piperidin-2-yl]methanamine.
What is the SMILES notation for [6-methyl-1-(1-phenylbutan-2-yl)piperidin-2-yl]methanamine?
The canonical SMILES for [6-methyl-1-(1-phenylbutan-2-yl)piperidin-2-yl]methanamine is CCC(Cc1ccccc1)N1C(C)CCCC1CN.
What is the InChIKey of [6-methyl-1-(1-phenylbutan-2-yl)piperidin-2-yl]methanamine?
The InChIKey is ULXLWGCDNRDCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-3-16(12-15-9-5-4-6-10-15)19-14(2)8-7-11-17(19)13-18/h4-6,9-10,14,16-17H,3,7-8,11-13,18H2,1-2H3.
What are the key properties of [6-methyl-1-(1-phenylbutan-2-yl)piperidin-2-yl]methanamine?
[6-methyl-1-(1-phenylbutan-2-yl)piperidin-2-yl]methanamine has a molecular weight of 260.43 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-1-(1-phenylbutan-2-yl)piperidin-2-yl]methanamine is sourced from PubChem (CID 79007703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).