[4-(aminomethyl)-1-(2,4,6-trimethylphenyl)piperidin-4-yl]methanamine

C16H27N3 — CID 117007853

IUPAC[4-(aminomethyl)-1-(2,4,6-trimethylphenyl)piperidin-4-yl]methanamine
SMILESCc1cc(C)c(N2CCC(CN)(CN)CC2)c(C)c1
InChIInChI=1S/C16H27N3/c1-12-8-13(2)15(14(3)9-12)19-6-4-16(10-17,11-18)5-7-19/h8-9H,4-7,10-11,17-18H2,1-3H3
InChIKeyLKBPOQWQJPMFLW-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.12
Rot. Bonds3

About [4-(aminomethyl)-1-(2,4,6-trimethylphenyl)piperidin-4-yl]methanamine

[4-(aminomethyl)-1-(2,4,6-trimethylphenyl)piperidin-4-yl]methanamine (PubChem CID 117007853) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is [4-(aminomethyl)-1-(2,4,6-trimethylphenyl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[4-(aminomethyl)-1-(2,4,6-trimethylphenyl)piperidin-4-yl]methanamine
PubChem CID117007853
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name[4-(aminomethyl)-1-(2,4,6-trimethylphenyl)piperidin-4-yl]methanamine
SMILESCc1cc(C)c(N2CCC(CN)(CN)CC2)c(C)c1
InChIInChI=1S/C16H27N3/c1-12-8-13(2)15(14(3)9-12)19-6-4-16(10-17,11-18)5-7-19/h8-9H,4-7,10-11,17-18H2,1-3H3
InChIKeyLKBPOQWQJPMFLW-UHFFFAOYSA-N
XLogP2.12
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4,4-dimethyl-1-(2,4,6-trimethylphenyl)piperidin-3-yl]methanamine
CID 117025776
[4-(aminomethyl)-1-(2-methylphenyl)piperidin-4-yl]methanamine
CID 117007839
[3-amino-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]methanol
CID 117012230
3,3-difluoro-1-(2,4,6-trimethylphenyl)pyrrolidine
CID 117007604
3-methyl-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxylic acid
CID 117013202
[4-(fluoromethyl)-1-(3-methylphenyl)piperidin-4-yl]methanamine
CID 115041666
1-(2,4,6-trimethylphenyl)-2,5-dihydropyrrole
CID 171371589
3,3-difluoro-1-(2,4,6-trimethylphenyl)piperidine
CID 117007689
3,5-dimethyl-2-piperidin-1-ylaniline
CID 30029941
1'-(2,4,6-trimethylphenyl)spiro[indole-3,4'-piperidine]
CID 177414966
2-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]acetic acid
CID 4741827
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxy-N,4,6-trimethylaniline
CID 115244018

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)-1-(2,4,6-trimethylphenyl)piperidin-4-yl]methanamine?
The IUPAC name of [4-(aminomethyl)-1-(2,4,6-trimethylphenyl)piperidin-4-yl]methanamine (CID 117007853) is [4-(aminomethyl)-1-(2,4,6-trimethylphenyl)piperidin-4-yl]methanamine.
What is the SMILES notation for [4-(aminomethyl)-1-(2,4,6-trimethylphenyl)piperidin-4-yl]methanamine?
The canonical SMILES for [4-(aminomethyl)-1-(2,4,6-trimethylphenyl)piperidin-4-yl]methanamine is Cc1cc(C)c(N2CCC(CN)(CN)CC2)c(C)c1.
What is the InChIKey of [4-(aminomethyl)-1-(2,4,6-trimethylphenyl)piperidin-4-yl]methanamine?
The InChIKey is LKBPOQWQJPMFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-12-8-13(2)15(14(3)9-12)19-6-4-16(10-17,11-18)5-7-19/h8-9H,4-7,10-11,17-18H2,1-3H3.
What are the key properties of [4-(aminomethyl)-1-(2,4,6-trimethylphenyl)piperidin-4-yl]methanamine?
[4-(aminomethyl)-1-(2,4,6-trimethylphenyl)piperidin-4-yl]methanamine has a molecular weight of 261.41 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)-1-(2,4,6-trimethylphenyl)piperidin-4-yl]methanamine is sourced from PubChem (CID 117007853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).