[4-(aminomethyl)-1-(2-methylphenyl)piperidin-4-yl]methanamine

C14H23N3 — CID 117007839

IUPAC[4-(aminomethyl)-1-(2-methylphenyl)piperidin-4-yl]methanamine
SMILESCc1ccccc1N1CCC(CN)(CN)CC1
InChIInChI=1S/C14H23N3/c1-12-4-2-3-5-13(12)17-8-6-14(10-15,11-16)7-9-17/h2-5H,6-11,15-16H2,1H3
InChIKeyYLNYQFNSUZTUKI-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.50
Rot. Bonds3

About [4-(aminomethyl)-1-(2-methylphenyl)piperidin-4-yl]methanamine

[4-(aminomethyl)-1-(2-methylphenyl)piperidin-4-yl]methanamine (PubChem CID 117007839) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is [4-(aminomethyl)-1-(2-methylphenyl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[4-(aminomethyl)-1-(2-methylphenyl)piperidin-4-yl]methanamine
PubChem CID117007839
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name[4-(aminomethyl)-1-(2-methylphenyl)piperidin-4-yl]methanamine
SMILESCc1ccccc1N1CCC(CN)(CN)CC1
InChIInChI=1S/C14H23N3/c1-12-4-2-3-5-13(12)17-8-6-14(10-15,11-16)7-9-17/h2-5H,6-11,15-16H2,1H3
InChIKeyYLNYQFNSUZTUKI-UHFFFAOYSA-N
XLogP1.50
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-1-(2-methylphenyl)piperidin-4-ol
CID 82286374
[3-fluoro-1-(2-methylphenyl)pyrrolidin-3-yl]methanamine
CID 115025944
1-(2-methylphenyl)azetidine;hydrochloride
CID 176582976
3-(aminomethyl)-1-(2-methylphenyl)piperidin-3-ol
CID 115032266
[4-(aminomethyl)-1-(2,4,6-trimethylphenyl)piperidin-4-yl]methanamine
CID 117007853
8-(2-methylphenyl)-1-oxa-8-azaspiro[4.5]decane
CID 142088748
1,3-bis(2-methylphenyl)imidazolidine;ethane
CID 145329565
1-amino-3-[4-(2-methylphenyl)piperazin-1-yl]propan-2-ol
CID 82297180
1-[4-(2-methylphenyl)piperazin-1-yl]propan-2-amine
CID 102550761
[4,4-dimethyl-1-(2-methylphenyl)piperidin-3-yl]methanol
CID 117025837
3-(fluoromethyl)-1-(2-methylphenyl)piperidin-3-amine
CID 115033528
4-hydroxy-1-(2-methylphenyl)azepane-4-carboxylic acid
CID 115055686

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)-1-(2-methylphenyl)piperidin-4-yl]methanamine?
The IUPAC name of [4-(aminomethyl)-1-(2-methylphenyl)piperidin-4-yl]methanamine (CID 117007839) is [4-(aminomethyl)-1-(2-methylphenyl)piperidin-4-yl]methanamine.
What is the SMILES notation for [4-(aminomethyl)-1-(2-methylphenyl)piperidin-4-yl]methanamine?
The canonical SMILES for [4-(aminomethyl)-1-(2-methylphenyl)piperidin-4-yl]methanamine is Cc1ccccc1N1CCC(CN)(CN)CC1.
What is the InChIKey of [4-(aminomethyl)-1-(2-methylphenyl)piperidin-4-yl]methanamine?
The InChIKey is YLNYQFNSUZTUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-12-4-2-3-5-13(12)17-8-6-14(10-15,11-16)7-9-17/h2-5H,6-11,15-16H2,1H3.
What are the key properties of [4-(aminomethyl)-1-(2-methylphenyl)piperidin-4-yl]methanamine?
[4-(aminomethyl)-1-(2-methylphenyl)piperidin-4-yl]methanamine has a molecular weight of 233.36 g/mol, XLogP of 1.50, 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-methylphenyl)piperidin-4-yl]methanamine is sourced from PubChem (CID 117007839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).