(1S,2S)-4-methyl-1-phenyl-2-(3-piperidin-1-ylpropylamino)pentan-1-ol;dihydrochloride

C20H36Cl2N2O — CID 24834649

IUPAC(1S,2S)-4-methyl-1-phenyl-2-(3-piperidin-1-ylpropylamino)pentan-1-ol;dihydrochloride
SMILESCC(C)C[C@H](NCCCN1CCCCC1)[C@@H](O)c1ccccc1.Cl.Cl
InChIInChI=1S/C20H34N2O.2ClH/c1-17(2)16-19(20(23)18-10-5-3-6-11-18)21-12-9-15-22-13-7-4-8-14-22;;/h3,5-6,10-11,17,19-21,23H,4,7-9,12-16H2,1-2H3;2*1H/t19-,20-;;/m0../s1
InChIKeyZDCOIAZVWJXPBG-TULUPMBKSA-N
MW391.43 g/mol
LogP4.44
Rot. Bonds9

About (1S,2S)-4-methyl-1-phenyl-2-(3-piperidin-1-ylpropylamino)pentan-1-ol;dihydrochloride

(1S,2S)-4-methyl-1-phenyl-2-(3-piperidin-1-ylpropylamino)pentan-1-ol;dihydrochloride (PubChem CID 24834649) has the molecular formula C20H36Cl2N2O and a molecular weight of 391.43 g/mol. Its IUPAC name is (1S,2S)-4-methyl-1-phenyl-2-(3-piperidin-1-ylpropylamino)pentan-1-ol;dihydrochloride.

Molecular Properties

Compound Name(1S,2S)-4-methyl-1-phenyl-2-(3-piperidin-1-ylpropylamino)pentan-1-ol;dihydrochloride
PubChem CID24834649
Molecular FormulaC20H36Cl2N2O
Molecular Weight391.43 g/mol
Exact Mass390.22
IUPAC Name(1S,2S)-4-methyl-1-phenyl-2-(3-piperidin-1-ylpropylamino)pentan-1-ol;dihydrochloride
SMILESCC(C)C[C@H](NCCCN1CCCCC1)[C@@H](O)c1ccccc1.Cl.Cl
InChIInChI=1S/C20H34N2O.2ClH/c1-17(2)16-19(20(23)18-10-5-3-6-11-18)21-12-9-15-22-13-7-4-8-14-22;;/h3,5-6,10-11,17,19-21,23H,4,7-9,12-16H2,1-2H3;2*1H/t19-,20-;;/m0../s1
InChIKeyZDCOIAZVWJXPBG-TULUPMBKSA-N
XLogP4.44
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (1S,2S)-4-methyl-1-phenyl-2-(3-piperidin-1-ylpropylamino)pentan-1-ol;dihydrochloride 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,2R)-5-methyl-1-phenyl-2-(3-piperidin-1-ylpropylamino)hexan-1-ol
CID 24834651
(1R,2S)-1-phenyl-2-(3-piperidin-1-ylpropylamino)hexan-1-ol
CID 24834662
1-phenyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine
CID 43203842
2,6-dimethyl-N-(3-piperidin-1-ylpropyl)heptan-4-amine
CID 29046500
1-phenyl-N-(3-piperidin-1-ylpropyl)butan-1-amine
CID 43098185
3-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylbutan-1-amine
CID 43204989
1-[2-(1-phenylethylamino)ethyl]-3-(3-piperidin-1-ylpropyl)urea
CID 143176399
N-(2-chloro-1-phenylethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 65026030
N-(2-methoxy-1-phenylethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 103913589
N-[1-(2-methylphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine
CID 43096146
1-phenyl-2-(4-pyrrolidin-1-ylbutylamino)propan-1-one
CID 82100069
3-piperidin-1-yl-N-(1-pyridin-2-ylethyl)propan-1-amine
CID 43203794

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-4-methyl-1-phenyl-2-(3-piperidin-1-ylpropylamino)pentan-1-ol;dihydrochloride?
The IUPAC name of (1S,2S)-4-methyl-1-phenyl-2-(3-piperidin-1-ylpropylamino)pentan-1-ol;dihydrochloride (CID 24834649) is (1S,2S)-4-methyl-1-phenyl-2-(3-piperidin-1-ylpropylamino)pentan-1-ol;dihydrochloride.
What is the SMILES notation for (1S,2S)-4-methyl-1-phenyl-2-(3-piperidin-1-ylpropylamino)pentan-1-ol;dihydrochloride?
The canonical SMILES for (1S,2S)-4-methyl-1-phenyl-2-(3-piperidin-1-ylpropylamino)pentan-1-ol;dihydrochloride is CC(C)C[C@H](NCCCN1CCCCC1)[C@@H](O)c1ccccc1.Cl.Cl.
What is the InChIKey of (1S,2S)-4-methyl-1-phenyl-2-(3-piperidin-1-ylpropylamino)pentan-1-ol;dihydrochloride?
The InChIKey is ZDCOIAZVWJXPBG-TULUPMBKSA-N. The full InChI is InChI=1S/C20H34N2O.2ClH/c1-17(2)16-19(20(23)18-10-5-3-6-11-18)21-12-9-15-22-13-7-4-8-14-22;;/h3,5-6,10-11,17,19-21,23H,4,7-9,12-16H2,1-2H3;2*1H/t19-,20-;;/m0../s1.
What are the key properties of (1S,2S)-4-methyl-1-phenyl-2-(3-piperidin-1-ylpropylamino)pentan-1-ol;dihydrochloride?
(1S,2S)-4-methyl-1-phenyl-2-(3-piperidin-1-ylpropylamino)pentan-1-ol;dihydrochloride has a molecular weight of 391.43 g/mol, XLogP of 4.44, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-4-methyl-1-phenyl-2-(3-piperidin-1-ylpropylamino)pentan-1-ol;dihydrochloride is sourced from PubChem (CID 24834649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).