(1R,2R)-5-methyl-1-phenyl-2-(3-piperidin-1-ylpropylamino)hexan-1-ol

C21H36N2O — CID 24834651

IUPAC(1R,2R)-5-methyl-1-phenyl-2-(3-piperidin-1-ylpropylamino)hexan-1-ol
SMILESCC(C)CC[C@@H](NCCCN1CCCCC1)[C@H](O)c1ccccc1
InChIInChI=1S/C21H36N2O/c1-18(2)12-13-20(21(24)19-10-5-3-6-11-19)22-14-9-17-23-15-7-4-8-16-23/h3,5-6,10-11,18,20-22,24H,4,7-9,12-17H2,1-2H3/t20-,21-/m1/s1
InChIKeyHPKRSLHZSDCGGF-NHCUHLMSSA-N
MW332.53 g/mol
LogP3.99
Rot. Bonds10

About (1R,2R)-5-methyl-1-phenyl-2-(3-piperidin-1-ylpropylamino)hexan-1-ol

(1R,2R)-5-methyl-1-phenyl-2-(3-piperidin-1-ylpropylamino)hexan-1-ol (PubChem CID 24834651) has the molecular formula C21H36N2O and a molecular weight of 332.53 g/mol. Its IUPAC name is (1R,2R)-5-methyl-1-phenyl-2-(3-piperidin-1-ylpropylamino)hexan-1-ol.

Molecular Properties

Compound Name(1R,2R)-5-methyl-1-phenyl-2-(3-piperidin-1-ylpropylamino)hexan-1-ol
PubChem CID24834651
Molecular FormulaC21H36N2O
Molecular Weight332.53 g/mol
Exact Mass332.28
IUPAC Name(1R,2R)-5-methyl-1-phenyl-2-(3-piperidin-1-ylpropylamino)hexan-1-ol
SMILESCC(C)CC[C@@H](NCCCN1CCCCC1)[C@H](O)c1ccccc1
InChIInChI=1S/C21H36N2O/c1-18(2)12-13-20(21(24)19-10-5-3-6-11-19)22-14-9-17-23-15-7-4-8-16-23/h3,5-6,10-11,18,20-22,24H,4,7-9,12-17H2,1-2H3/t20-,21-/m1/s1
InChIKeyHPKRSLHZSDCGGF-NHCUHLMSSA-N
XLogP3.99
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.53
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R,2S)-1-phenyl-2-(3-piperidin-1-ylpropylamino)hexan-1-ol
CID 24834662
(1S,2S)-4-methyl-1-phenyl-2-(3-piperidin-1-ylpropylamino)pentan-1-ol;dihydrochloride
CID 24834649
1-phenyl-N-(3-piperidin-1-ylpropyl)butan-1-amine
CID 43098185
1-phenyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine
CID 43203842
7-methyl-1-phenyl-N-(7-piperidin-1-ylheptyl)octan-4-amine
CID 19026114
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
2,8-dimethyl-N-(4-piperidin-1-ylbutyl)nonan-5-amine
CID 15030022
N-[1-(2-methylphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine
CID 43096146
N,N'-bis(3-methylbutyl)-2-(3-piperidin-1-ylpropylamino)propanediamide
CID 139757133
1-phenyl-2-(4-pyrrolidin-1-ylbutylamino)propan-1-one
CID 82100069

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-5-methyl-1-phenyl-2-(3-piperidin-1-ylpropylamino)hexan-1-ol?
The IUPAC name of (1R,2R)-5-methyl-1-phenyl-2-(3-piperidin-1-ylpropylamino)hexan-1-ol (CID 24834651) is (1R,2R)-5-methyl-1-phenyl-2-(3-piperidin-1-ylpropylamino)hexan-1-ol.
What is the SMILES notation for (1R,2R)-5-methyl-1-phenyl-2-(3-piperidin-1-ylpropylamino)hexan-1-ol?
The canonical SMILES for (1R,2R)-5-methyl-1-phenyl-2-(3-piperidin-1-ylpropylamino)hexan-1-ol is CC(C)CC[C@@H](NCCCN1CCCCC1)[C@H](O)c1ccccc1.
What is the InChIKey of (1R,2R)-5-methyl-1-phenyl-2-(3-piperidin-1-ylpropylamino)hexan-1-ol?
The InChIKey is HPKRSLHZSDCGGF-NHCUHLMSSA-N. The full InChI is InChI=1S/C21H36N2O/c1-18(2)12-13-20(21(24)19-10-5-3-6-11-19)22-14-9-17-23-15-7-4-8-16-23/h3,5-6,10-11,18,20-22,24H,4,7-9,12-17H2,1-2H3/t20-,21-/m1/s1.
What are the key properties of (1R,2R)-5-methyl-1-phenyl-2-(3-piperidin-1-ylpropylamino)hexan-1-ol?
(1R,2R)-5-methyl-1-phenyl-2-(3-piperidin-1-ylpropylamino)hexan-1-ol has a molecular weight of 332.53 g/mol, XLogP of 3.99, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-5-methyl-1-phenyl-2-(3-piperidin-1-ylpropylamino)hexan-1-ol is sourced from PubChem (CID 24834651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).