[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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Related Compounds

[1-[(3-chloro-4-methoxyphenyl)methyl]-6-methylpiperidin-3-yl]methanamine
CID 65026475
[1-[(4-bromo-3-methylphenyl)methyl]-6-methylpiperidin-3-yl]methanamine
CID 66480996
2,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine
CID 58659507
[6-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanamine
CID 62126736
[1-[(2-chloro-4-fluorophenyl)methyl]-6-methylpiperidin-3-yl]methanamine
CID 54989344
3-ethyl-7-methyl-1-[(4-propan-2-ylphenyl)methyl]-1,4-diazepane
CID 64869642
5-cyclopropyl-2-methyl-1-[(4-propan-2-ylphenyl)methyl]piperazine
CID 64860473
4-[[5-(aminomethyl)-2-methylpiperidin-1-yl]methyl]-2-methoxybenzonitrile
CID 106792785
5-[[5-(aminomethyl)-2-methylpiperidin-1-yl]methyl]-2-methoxybenzonitrile
CID 65340682
[1-[[4-(difluoromethoxy)phenyl]methyl]-5-methylpyrrolidin-3-yl]methanamine
CID 115486318
[5-methyl-1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]methanamine
CID 115486401
(1-benzyl-6-methylpiperidin-3-yl)methanol
CID 22106848

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).