4-(aminomethyl)-N-(3-methoxyphenyl)-1-propylpiperidin-4-amine

C16H27N3O — CID 65377742

IUPAC4-(aminomethyl)-N-(3-methoxyphenyl)-1-propylpiperidin-4-amine
SMILESCCCN1CCC(CN)(Nc2cccc(OC)c2)CC1
InChIInChI=1S/C16H27N3O/c1-3-9-19-10-7-16(13-17,8-11-19)18-14-5-4-6-15(12-14)20-2/h4-6,12,18H,3,7-11,13,17H2,1-2H3
InChIKeyMRKRIKAHSSHAEN-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.31
Rot. Bonds6

About 4-(aminomethyl)-N-(3-methoxyphenyl)-1-propylpiperidin-4-amine

4-(aminomethyl)-N-(3-methoxyphenyl)-1-propylpiperidin-4-amine (PubChem CID 65377742) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(3-methoxyphenyl)-1-propylpiperidin-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-(3-methoxyphenyl)-1-propylpiperidin-4-amine
PubChem CID65377742
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name4-(aminomethyl)-N-(3-methoxyphenyl)-1-propylpiperidin-4-amine
SMILESCCCN1CCC(CN)(Nc2cccc(OC)c2)CC1
InChIInChI=1S/C16H27N3O/c1-3-9-19-10-7-16(13-17,8-11-19)18-14-5-4-6-15(12-14)20-2/h4-6,12,18H,3,7-11,13,17H2,1-2H3
InChIKeyMRKRIKAHSSHAEN-UHFFFAOYSA-N
XLogP2.31
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-(3-methoxyphenyl)-1-propan-2-ylazepan-4-amine
CID 65378995
[1-ethyl-4-(3-methoxyanilino)piperidin-4-yl]methanol
CID 61048674
N-[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]-3-methoxyaniline
CID 65377332
N-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-3-methoxyaniline
CID 79846865
3-(aminomethyl)-N-(3-methoxyphenyl)-5-methylthiolan-3-amine
CID 79950466
methyl 1-ethyl-4-(3-methoxyanilino)piperidine-4-carboxylate
CID 60993286
4-(aminomethyl)-N-(2-bromo-5-methylphenyl)-1-propylpiperidin-4-amine
CID 82761608
N-(3-methoxyphenyl)-4-propyl-1,4-diazepane-1-carboxamide
CID 47090396
[4-(3-methylanilino)-1-propylazepan-4-yl]methanol
CID 65076521
N-[2-(azepan-1-yl)ethyl]-3-methoxyaniline
CID 54807048
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-methoxyphenyl)acetamide;hydrochloride
CID 120773664
1-(aminomethyl)-N-(4-methoxyphenyl)cyclooctan-1-amine
CID 65383457

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(3-methoxyphenyl)-1-propylpiperidin-4-amine?
The IUPAC name of 4-(aminomethyl)-N-(3-methoxyphenyl)-1-propylpiperidin-4-amine (CID 65377742) is 4-(aminomethyl)-N-(3-methoxyphenyl)-1-propylpiperidin-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-(3-methoxyphenyl)-1-propylpiperidin-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-(3-methoxyphenyl)-1-propylpiperidin-4-amine is CCCN1CCC(CN)(Nc2cccc(OC)c2)CC1.
What is the InChIKey of 4-(aminomethyl)-N-(3-methoxyphenyl)-1-propylpiperidin-4-amine?
The InChIKey is MRKRIKAHSSHAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-3-9-19-10-7-16(13-17,8-11-19)18-14-5-4-6-15(12-14)20-2/h4-6,12,18H,3,7-11,13,17H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-(3-methoxyphenyl)-1-propylpiperidin-4-amine?
4-(aminomethyl)-N-(3-methoxyphenyl)-1-propylpiperidin-4-amine has a molecular weight of 277.41 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(3-methoxyphenyl)-1-propylpiperidin-4-amine is sourced from PubChem (CID 65377742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).