[6-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methanamine

C17H28N2 — CID 54989394

IUPAC[6-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methanamine
SMILESCC(C)c1ccc(CN2CC(CN)CCC2C)cc1
InChIInChI=1S/C17H28N2/c1-13(2)17-8-6-15(7-9-17)11-19-12-16(10-18)5-4-14(19)3/h6-9,13-14,16H,4-5,10-12,18H2,1-3H3
InChIKeyJBFCMGIVKKTEEM-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.37
Rot. Bonds4

About [6-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methanamine

[6-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methanamine (PubChem CID 54989394) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is [6-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[6-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methanamine
PubChem CID54989394
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name[6-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methanamine
SMILESCC(C)c1ccc(CN2CC(CN)CCC2C)cc1
InChIInChI=1S/C17H28N2/c1-13(2)17-8-6-15(7-9-17)11-19-12-16(10-18)5-4-14(19)3/h6-9,13-14,16H,4-5,10-12,18H2,1-3H3
InChIKeyJBFCMGIVKKTEEM-UHFFFAOYSA-N
XLogP3.37
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [6-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methanamine?
The IUPAC name of [6-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methanamine (CID 54989394) is [6-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methanamine.
What is the SMILES notation for [6-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methanamine?
The canonical SMILES for [6-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methanamine is CC(C)c1ccc(CN2CC(CN)CCC2C)cc1.
What is the InChIKey of [6-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methanamine?
The InChIKey is JBFCMGIVKKTEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-13(2)17-8-6-15(7-9-17)11-19-12-16(10-18)5-4-14(19)3/h6-9,13-14,16H,4-5,10-12,18H2,1-3H3.
What are the key properties of [6-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methanamine?
[6-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methanamine has a molecular weight of 260.43 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methanamine is sourced from PubChem (CID 54989394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).