(1R)-1-[2-(3,5-dimethylpiperidin-1-yl)phenyl]propan-1-amine

C16H26N2 — CID 113358770

IUPAC(1R)-1-[2-(3,5-dimethylpiperidin-1-yl)phenyl]propan-1-amine
SMILESCC[C@@H](N)c1ccccc1N1CC(C)CC(C)C1
InChIInChI=1S/C16H26N2/c1-4-15(17)14-7-5-6-8-16(14)18-10-12(2)9-13(3)11-18/h5-8,12-13,15H,4,9-11,17H2,1-3H3/t12?,13?,15-/m1/s1
InChIKeyNXVFSPOUYBHCPF-SSDMNJCBSA-N
MW246.40 g/mol
LogP3.58
Rot. Bonds3

About (1R)-1-[2-(3,5-dimethylpiperidin-1-yl)phenyl]propan-1-amine

(1R)-1-[2-(3,5-dimethylpiperidin-1-yl)phenyl]propan-1-amine (PubChem CID 113358770) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is (1R)-1-[2-(3,5-dimethylpiperidin-1-yl)phenyl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[2-(3,5-dimethylpiperidin-1-yl)phenyl]propan-1-amine
PubChem CID113358770
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name(1R)-1-[2-(3,5-dimethylpiperidin-1-yl)phenyl]propan-1-amine
SMILESCC[C@@H](N)c1ccccc1N1CC(C)CC(C)C1
InChIInChI=1S/C16H26N2/c1-4-15(17)14-7-5-6-8-16(14)18-10-12(2)9-13(3)11-18/h5-8,12-13,15H,4,9-11,17H2,1-3H3/t12?,13?,15-/m1/s1
InChIKeyNXVFSPOUYBHCPF-SSDMNJCBSA-N
XLogP3.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R)-1-[2-(3,5-dimethylpiperidin-1-yl)phenyl]propan-1-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

(1R)-1-[2-(3,4-dimethylpiperazin-1-yl)phenyl]propan-1-amine
CID 113358830
(1S)-1-[2-(3,4-dimethylpiperazin-1-yl)phenyl]propan-1-amine
CID 103958918
(1S)-1-[2-(azepan-1-yl)phenyl]propan-1-amine
CID 103958428
1-[2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]propan-1-amine
CID 112678137
1-[2-(1-aminopropyl)phenyl]pyrrolidin-3-ol
CID 112678103
1-[2-(4-ethylpiperazin-1-yl)phenyl]propan-1-amine
CID 112677803
1-[2-(4-cyclopropylpiperazin-1-yl)phenyl]propan-1-amine
CID 112677997
1-[2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]propan-1-amine
CID 102959014
1-[4-(3,5-dimethylpiperidin-1-yl)phenyl]propan-1-amine
CID 114065989
2-[2-[(1S)-1-aminopropyl]phenyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 103959095
1-[2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]propan-1-amine
CID 115995211
[2-(3,5-dimethylpiperidin-1-yl)phenyl]methanamine
CID 43199915

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(3,5-dimethylpiperidin-1-yl)phenyl]propan-1-amine?
The IUPAC name of (1R)-1-[2-(3,5-dimethylpiperidin-1-yl)phenyl]propan-1-amine (CID 113358770) is (1R)-1-[2-(3,5-dimethylpiperidin-1-yl)phenyl]propan-1-amine.
What is the SMILES notation for (1R)-1-[2-(3,5-dimethylpiperidin-1-yl)phenyl]propan-1-amine?
The canonical SMILES for (1R)-1-[2-(3,5-dimethylpiperidin-1-yl)phenyl]propan-1-amine is CC[C@@H](N)c1ccccc1N1CC(C)CC(C)C1.
What is the InChIKey of (1R)-1-[2-(3,5-dimethylpiperidin-1-yl)phenyl]propan-1-amine?
The InChIKey is NXVFSPOUYBHCPF-SSDMNJCBSA-N. The full InChI is InChI=1S/C16H26N2/c1-4-15(17)14-7-5-6-8-16(14)18-10-12(2)9-13(3)11-18/h5-8,12-13,15H,4,9-11,17H2,1-3H3/t12?,13?,15-/m1/s1.
What are the key properties of (1R)-1-[2-(3,5-dimethylpiperidin-1-yl)phenyl]propan-1-amine?
(1R)-1-[2-(3,5-dimethylpiperidin-1-yl)phenyl]propan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(3,5-dimethylpiperidin-1-yl)phenyl]propan-1-amine is sourced from PubChem (CID 113358770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).