3-(aminomethyl)-N-(4-methylphenyl)piperidin-3-amine

C13H21N3 — CID 105474886

IUPAC3-(aminomethyl)-N-(4-methylphenyl)piperidin-3-amine
SMILESCc1ccc(NC2(CN)CCCNC2)cc1
InChIInChI=1S/C13H21N3/c1-11-3-5-12(6-4-11)16-13(9-14)7-2-8-15-10-13/h3-6,15-16H,2,7-10,14H2,1H3
InChIKeyZKQADHAFCOUVJI-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.49
Rot. Bonds3

About 3-(aminomethyl)-N-(4-methylphenyl)piperidin-3-amine

3-(aminomethyl)-N-(4-methylphenyl)piperidin-3-amine (PubChem CID 105474886) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(4-methylphenyl)piperidin-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-(4-methylphenyl)piperidin-3-amine
PubChem CID105474886
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name3-(aminomethyl)-N-(4-methylphenyl)piperidin-3-amine
SMILESCc1ccc(NC2(CN)CCCNC2)cc1
InChIInChI=1S/C13H21N3/c1-11-3-5-12(6-4-11)16-13(9-14)7-2-8-15-10-13/h3-6,15-16H,2,7-10,14H2,1H3
InChIKeyZKQADHAFCOUVJI-UHFFFAOYSA-N
XLogP1.49
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(4-methylphenyl)piperidin-3-amine?
The IUPAC name of 3-(aminomethyl)-N-(4-methylphenyl)piperidin-3-amine (CID 105474886) is 3-(aminomethyl)-N-(4-methylphenyl)piperidin-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-(4-methylphenyl)piperidin-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-(4-methylphenyl)piperidin-3-amine is Cc1ccc(NC2(CN)CCCNC2)cc1.
What is the InChIKey of 3-(aminomethyl)-N-(4-methylphenyl)piperidin-3-amine?
The InChIKey is ZKQADHAFCOUVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-11-3-5-12(6-4-11)16-13(9-14)7-2-8-15-10-13/h3-6,15-16H,2,7-10,14H2,1H3.
What are the key properties of 3-(aminomethyl)-N-(4-methylphenyl)piperidin-3-amine?
3-(aminomethyl)-N-(4-methylphenyl)piperidin-3-amine has a molecular weight of 219.33 g/mol, XLogP of 1.49, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(4-methylphenyl)piperidin-3-amine is sourced from PubChem (CID 105474886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).