(1R)-N'-methyl-N'-(1-methylpiperidin-4-yl)-1-phenylethane-1,2-diamine

C15H25N3 — CID 30113844

IUPAC(1R)-N'-methyl-N'-(1-methylpiperidin-4-yl)-1-phenylethane-1,2-diamine
SMILESCN1CCC(N(C)C[C@H](N)c2ccccc2)CC1
InChIInChI=1S/C15H25N3/c1-17-10-8-14(9-11-17)18(2)12-15(16)13-6-4-3-5-7-13/h3-7,14-15H,8-12,16H2,1-2H3/t15-/m0/s1
InChIKeySSBICFQKMDXFBD-HNNXBMFYSA-N
MW247.39 g/mol
LogP1.71
Rot. Bonds4

About (1R)-N'-methyl-N'-(1-methylpiperidin-4-yl)-1-phenylethane-1,2-diamine

(1R)-N'-methyl-N'-(1-methylpiperidin-4-yl)-1-phenylethane-1,2-diamine (PubChem CID 30113844) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is (1R)-N'-methyl-N'-(1-methylpiperidin-4-yl)-1-phenylethane-1,2-diamine.

Molecular Properties

Compound Name(1R)-N'-methyl-N'-(1-methylpiperidin-4-yl)-1-phenylethane-1,2-diamine
PubChem CID30113844
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name(1R)-N'-methyl-N'-(1-methylpiperidin-4-yl)-1-phenylethane-1,2-diamine
SMILESCN1CCC(N(C)C[C@H](N)c2ccccc2)CC1
InChIInChI=1S/C15H25N3/c1-17-10-8-14(9-11-17)18(2)12-15(16)13-6-4-3-5-7-13/h3-7,14-15H,8-12,16H2,1-2H3/t15-/m0/s1
InChIKeySSBICFQKMDXFBD-HNNXBMFYSA-N
XLogP1.71
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R)-N'-methyl-N'-(1-methylpiperidin-4-yl)-1-phenylethane-1,2-diamine 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'-methyl-N'-(1-methylpiperidin-4-yl)-1-phenylbutane-1,4-diamine
CID 63321929
1-(2-fluorophenyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 16786319
1-(4-fluorophenyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine
CID 62644970
N'-(1-ethylpiperidin-4-yl)-1-(4-fluorophenyl)-N'-methylethane-1,2-diamine
CID 107520485
(2S)-1-N-methyl-1-N-(1-methylpiperidin-4-yl)butane-1,2-diamine
CID 7138359
1-cyclohexyl-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 104744436
2-[methyl-(1-methylpiperidin-4-yl)amino]-1-naphthalen-2-ylethanol
CID 82216002
N'-cyclopentyl-N',2-dimethyl-1-phenylpropane-1,3-diamine
CID 62618384
N'-cyclohexyl-N'-methyl-1-(3-methylphenyl)ethane-1,2-diamine
CID 61308548
(2R)-N-[(1S)-2-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylethyl]-2-methylsulfanylpropanamide
CID 95274469
2-amino-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-2-phenylacetamide
CID 60953001
(2R,3S)-1-N,3-dimethyl-1-N-(1-methylpiperidin-4-yl)pentane-1,2-diamine
CID 28598739

Frequently Asked Questions

What is the IUPAC name of (1R)-N'-methyl-N'-(1-methylpiperidin-4-yl)-1-phenylethane-1,2-diamine?
The IUPAC name of (1R)-N'-methyl-N'-(1-methylpiperidin-4-yl)-1-phenylethane-1,2-diamine (CID 30113844) is (1R)-N'-methyl-N'-(1-methylpiperidin-4-yl)-1-phenylethane-1,2-diamine.
What is the SMILES notation for (1R)-N'-methyl-N'-(1-methylpiperidin-4-yl)-1-phenylethane-1,2-diamine?
The canonical SMILES for (1R)-N'-methyl-N'-(1-methylpiperidin-4-yl)-1-phenylethane-1,2-diamine is CN1CCC(N(C)C[C@H](N)c2ccccc2)CC1.
What is the InChIKey of (1R)-N'-methyl-N'-(1-methylpiperidin-4-yl)-1-phenylethane-1,2-diamine?
The InChIKey is SSBICFQKMDXFBD-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H25N3/c1-17-10-8-14(9-11-17)18(2)12-15(16)13-6-4-3-5-7-13/h3-7,14-15H,8-12,16H2,1-2H3/t15-/m0/s1.
What are the key properties of (1R)-N'-methyl-N'-(1-methylpiperidin-4-yl)-1-phenylethane-1,2-diamine?
(1R)-N'-methyl-N'-(1-methylpiperidin-4-yl)-1-phenylethane-1,2-diamine has a molecular weight of 247.39 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N'-methyl-N'-(1-methylpiperidin-4-yl)-1-phenylethane-1,2-diamine is sourced from PubChem (CID 30113844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).