4-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]-1-propylpiperidin-4-amine

C18H31N3 — CID 28798824

IUPAC4-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]-1-propylpiperidin-4-amine
SMILESCCCN1CCC(CN)(N(C)Cc2ccc(C)cc2)CC1
InChIInChI=1S/C18H31N3/c1-4-11-21-12-9-18(15-19,10-13-21)20(3)14-17-7-5-16(2)6-8-17/h5-8H,4,9-15,19H2,1-3H3
InChIKeyMNVGJDYGPAINOY-UHFFFAOYSA-N
MW289.47 g/mol
LogP2.63
Rot. Bonds6

About 4-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]-1-propylpiperidin-4-amine

4-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]-1-propylpiperidin-4-amine (PubChem CID 28798824) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]-1-propylpiperidin-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]-1-propylpiperidin-4-amine
PubChem CID28798824
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name4-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]-1-propylpiperidin-4-amine
SMILESCCCN1CCC(CN)(N(C)Cc2ccc(C)cc2)CC1
InChIInChI=1S/C18H31N3/c1-4-11-21-12-9-18(15-19,10-13-21)20(3)14-17-7-5-16(2)6-8-17/h5-8H,4,9-15,19H2,1-3H3
InChIKeyMNVGJDYGPAINOY-UHFFFAOYSA-N
XLogP2.63
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]-1-propylpiperidin-4-amine?
The IUPAC name of 4-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]-1-propylpiperidin-4-amine (CID 28798824) is 4-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]-1-propylpiperidin-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]-1-propylpiperidin-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]-1-propylpiperidin-4-amine is CCCN1CCC(CN)(N(C)Cc2ccc(C)cc2)CC1.
What is the InChIKey of 4-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]-1-propylpiperidin-4-amine?
The InChIKey is MNVGJDYGPAINOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-4-11-21-12-9-18(15-19,10-13-21)20(3)14-17-7-5-16(2)6-8-17/h5-8H,4,9-15,19H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]-1-propylpiperidin-4-amine?
4-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]-1-propylpiperidin-4-amine has a molecular weight of 289.47 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]-1-propylpiperidin-4-amine is sourced from PubChem (CID 28798824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).