N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1-methylpiperidin-4-amine

C17H28N2O2 — CID 43373330

IUPACN-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1-methylpiperidin-4-amine
SMILESCOc1ccc(CC(C)NC2CCN(C)CC2)cc1OC
InChIInChI=1S/C17H28N2O2/c1-13(18-15-7-9-19(2)10-8-15)11-14-5-6-16(20-3)17(12-14)21-4/h5-6,12-13,15,18H,7-11H2,1-4H3
InChIKeyDXRITPMMYBEYAO-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.32
Rot. Bonds6

About N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1-methylpiperidin-4-amine

N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1-methylpiperidin-4-amine (PubChem CID 43373330) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1-methylpiperidin-4-amine
PubChem CID43373330
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1-methylpiperidin-4-amine
SMILESCOc1ccc(CC(C)NC2CCN(C)CC2)cc1OC
InChIInChI=1S/C17H28N2O2/c1-13(18-15-7-9-19(2)10-8-15)11-14-5-6-16(20-3)17(12-14)21-4/h5-6,12-13,15,18H,7-11H2,1-4H3
InChIKeyDXRITPMMYBEYAO-UHFFFAOYSA-N
XLogP2.32
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1-methylpiperidin-4-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

N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-3,3-dimethylcyclopentan-1-amine
CID 115897346
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]oxan-3-amine
CID 63359784
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2-methyloxan-4-amine
CID 103907180
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-methylpiperidin-4-amine
CID 43215948
N-[1-(3-amino-4-methoxyphenyl)propan-2-yl]cyclooctanamine
CID 82257445
1-[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]propan-2-amine
CID 117446741
1-[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]propan-2-ol
CID 115005708
N-[1-(4-fluorophenyl)propan-2-yl]-1-methylazepan-4-amine
CID 65074925
[2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]cyclopentyl]methanol
CID 103786094
4-[(2R,3R)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,2-dimethoxybenzene
CID 515707
N-[1-(4-methoxyphenyl)propan-2-yl]-1-propan-2-ylpiperidin-4-amine
CID 43508797
N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-methylpiperidin-4-amine
CID 43215907

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1-methylpiperidin-4-amine (CID 43373330) is N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1-methylpiperidin-4-amine is COc1ccc(CC(C)NC2CCN(C)CC2)cc1OC.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1-methylpiperidin-4-amine?
The InChIKey is DXRITPMMYBEYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-13(18-15-7-9-19(2)10-8-15)11-14-5-6-16(20-3)17(12-14)21-4/h5-6,12-13,15,18H,7-11H2,1-4H3.
What are the key properties of N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1-methylpiperidin-4-amine?
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1-methylpiperidin-4-amine has a molecular weight of 292.42 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 43373330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).