1-(3-amino-4-methylphenyl)-N,N-dimethylpiperidin-4-amine

C14H23N3 — CID 55130361

IUPAC1-(3-amino-4-methylphenyl)-N,N-dimethylpiperidin-4-amine
SMILESCc1ccc(N2CCC(N(C)C)CC2)cc1N
InChIInChI=1S/C14H23N3/c1-11-4-5-13(10-14(11)15)17-8-6-12(7-9-17)16(2)3/h4-5,10,12H,6-9,15H2,1-3H3
InChIKeyOSIFKCWZNKMXNS-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.11
Rot. Bonds2

About 1-(3-amino-4-methylphenyl)-N,N-dimethylpiperidin-4-amine

1-(3-amino-4-methylphenyl)-N,N-dimethylpiperidin-4-amine (PubChem CID 55130361) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-(3-amino-4-methylphenyl)-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(3-amino-4-methylphenyl)-N,N-dimethylpiperidin-4-amine
PubChem CID55130361
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name1-(3-amino-4-methylphenyl)-N,N-dimethylpiperidin-4-amine
SMILESCc1ccc(N2CCC(N(C)C)CC2)cc1N
InChIInChI=1S/C14H23N3/c1-11-4-5-13(10-14(11)15)17-8-6-12(7-9-17)16(2)3/h4-5,10,12H,6-9,15H2,1-3H3
InChIKeyOSIFKCWZNKMXNS-UHFFFAOYSA-N
XLogP2.11
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-methylphenyl)-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-(3-amino-4-methylphenyl)-N,N-dimethylpiperidin-4-amine (CID 55130361) is 1-(3-amino-4-methylphenyl)-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-(3-amino-4-methylphenyl)-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-(3-amino-4-methylphenyl)-N,N-dimethylpiperidin-4-amine is Cc1ccc(N2CCC(N(C)C)CC2)cc1N.
What is the InChIKey of 1-(3-amino-4-methylphenyl)-N,N-dimethylpiperidin-4-amine?
The InChIKey is OSIFKCWZNKMXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-11-4-5-13(10-14(11)15)17-8-6-12(7-9-17)16(2)3/h4-5,10,12H,6-9,15H2,1-3H3.
What are the key properties of 1-(3-amino-4-methylphenyl)-N,N-dimethylpiperidin-4-amine?
1-(3-amino-4-methylphenyl)-N,N-dimethylpiperidin-4-amine has a molecular weight of 233.36 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-methylphenyl)-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 55130361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).