[6-methyl-1-(1-phenylbutan-2-yl)piperidin-3-yl]methanamine

C17H28N2 — CID 79007971

IUPAC[6-methyl-1-(1-phenylbutan-2-yl)piperidin-3-yl]methanamine
SMILESCCC(Cc1ccccc1)N1CC(CN)CCC1C
InChIInChI=1S/C17H28N2/c1-3-17(11-15-7-5-4-6-8-15)19-13-16(12-18)10-9-14(19)2/h4-8,14,16-17H,3,9-13,18H2,1-2H3
InChIKeyLYBNZMFTABBABD-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.07
Rot. Bonds5

About [6-methyl-1-(1-phenylbutan-2-yl)piperidin-3-yl]methanamine

[6-methyl-1-(1-phenylbutan-2-yl)piperidin-3-yl]methanamine (PubChem CID 79007971) 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-3-yl]methanamine.

Molecular Properties

Compound Name[6-methyl-1-(1-phenylbutan-2-yl)piperidin-3-yl]methanamine
PubChem CID79007971
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name[6-methyl-1-(1-phenylbutan-2-yl)piperidin-3-yl]methanamine
SMILESCCC(Cc1ccccc1)N1CC(CN)CCC1C
InChIInChI=1S/C17H28N2/c1-3-17(11-15-7-5-4-6-8-15)19-13-16(12-18)10-9-14(19)2/h4-8,14,16-17H,3,9-13,18H2,1-2H3
InChIKeyLYBNZMFTABBABD-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [6-methyl-1-(1-phenylbutan-2-yl)piperidin-3-yl]methanamine?
The IUPAC name of [6-methyl-1-(1-phenylbutan-2-yl)piperidin-3-yl]methanamine (CID 79007971) is [6-methyl-1-(1-phenylbutan-2-yl)piperidin-3-yl]methanamine.
What is the SMILES notation for [6-methyl-1-(1-phenylbutan-2-yl)piperidin-3-yl]methanamine?
The canonical SMILES for [6-methyl-1-(1-phenylbutan-2-yl)piperidin-3-yl]methanamine is CCC(Cc1ccccc1)N1CC(CN)CCC1C.
What is the InChIKey of [6-methyl-1-(1-phenylbutan-2-yl)piperidin-3-yl]methanamine?
The InChIKey is LYBNZMFTABBABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-3-17(11-15-7-5-4-6-8-15)19-13-16(12-18)10-9-14(19)2/h4-8,14,16-17H,3,9-13,18H2,1-2H3.
What are the key properties of [6-methyl-1-(1-phenylbutan-2-yl)piperidin-3-yl]methanamine?
[6-methyl-1-(1-phenylbutan-2-yl)piperidin-3-yl]methanamine has a molecular weight of 260.43 g/mol, XLogP of 3.07, 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-3-yl]methanamine is sourced from PubChem (CID 79007971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).