1-[1-(4-methoxyphenyl)propan-2-yl]-5-methylpiperidin-3-amine

C16H26N2O — CID 79986496

IUPAC1-[1-(4-methoxyphenyl)propan-2-yl]-5-methylpiperidin-3-amine
SMILESCOc1ccc(CC(C)N2CC(C)CC(N)C2)cc1
InChIInChI=1S/C16H26N2O/c1-12-8-15(17)11-18(10-12)13(2)9-14-4-6-16(19-3)7-5-14/h4-7,12-13,15H,8-11,17H2,1-3H3
InChIKeyPVMPDGPNHQNUND-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.30
Rot. Bonds4

About 1-[1-(4-methoxyphenyl)propan-2-yl]-5-methylpiperidin-3-amine

1-[1-(4-methoxyphenyl)propan-2-yl]-5-methylpiperidin-3-amine (PubChem CID 79986496) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[1-(4-methoxyphenyl)propan-2-yl]-5-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-[1-(4-methoxyphenyl)propan-2-yl]-5-methylpiperidin-3-amine
PubChem CID79986496
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[1-(4-methoxyphenyl)propan-2-yl]-5-methylpiperidin-3-amine
SMILESCOc1ccc(CC(C)N2CC(C)CC(N)C2)cc1
InChIInChI=1S/C16H26N2O/c1-12-8-15(17)11-18(10-12)13(2)9-14-4-6-16(19-3)7-5-14/h4-7,12-13,15H,8-11,17H2,1-3H3
InChIKeyPVMPDGPNHQNUND-UHFFFAOYSA-N
XLogP2.30
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-(4-methoxyphenyl)propan-2-yl]-5-methylpiperidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-(3-amino-5-methylpiperidin-1-yl)butyl]phenol
CID 79986742
1-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-methylpyrrolidin-3-amine
CID 103575485
3,7-dimethyl-1-(1-phenylpropan-2-yl)-1,5-diazocane
CID 55151237
1-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]azetidin-3-amine
CID 65244673
1-[1-(4-fluorophenyl)ethyl]-5-methylpiperidin-3-amine
CID 79986421
1-[1-(6-methoxynaphthalen-2-yl)ethyl]azetidin-3-amine
CID 65244855
1-[2-(bromomethyl)-3-cyclopentylpropyl]-4-methoxybenzene
CID 66042501
1-methoxy-4-[(2R)-2-methoxypropyl]benzene
CID 138984863
1-(4-methoxyphenyl)propane-2-thiol
CID 63272833
[(3R)-1-[(2S)-4-(4-methoxyphenyl)butan-2-yl]piperidin-3-yl]methanol
CID 30982517
4-[2-(3,5-dimethylpiperazin-1-yl)propyl]phenol
CID 113323158
3-cyclopropyl-4-(4-methoxyphenyl)butan-1-amine
CID 112507866

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxyphenyl)propan-2-yl]-5-methylpiperidin-3-amine?
The IUPAC name of 1-[1-(4-methoxyphenyl)propan-2-yl]-5-methylpiperidin-3-amine (CID 79986496) is 1-[1-(4-methoxyphenyl)propan-2-yl]-5-methylpiperidin-3-amine.
What is the SMILES notation for 1-[1-(4-methoxyphenyl)propan-2-yl]-5-methylpiperidin-3-amine?
The canonical SMILES for 1-[1-(4-methoxyphenyl)propan-2-yl]-5-methylpiperidin-3-amine is COc1ccc(CC(C)N2CC(C)CC(N)C2)cc1.
What is the InChIKey of 1-[1-(4-methoxyphenyl)propan-2-yl]-5-methylpiperidin-3-amine?
The InChIKey is PVMPDGPNHQNUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12-8-15(17)11-18(10-12)13(2)9-14-4-6-16(19-3)7-5-14/h4-7,12-13,15H,8-11,17H2,1-3H3.
What are the key properties of 1-[1-(4-methoxyphenyl)propan-2-yl]-5-methylpiperidin-3-amine?
1-[1-(4-methoxyphenyl)propan-2-yl]-5-methylpiperidin-3-amine has a molecular weight of 262.40 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxyphenyl)propan-2-yl]-5-methylpiperidin-3-amine is sourced from PubChem (CID 79986496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).