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

C20H34N2O — CID 24834662

IUPAC(1R,2S)-1-phenyl-2-(3-piperidin-1-ylpropylamino)hexan-1-ol
SMILESCCCC[C@H](NCCCN1CCCCC1)[C@H](O)c1ccccc1
InChIInChI=1S/C20H34N2O/c1-2-3-13-19(20(23)18-11-6-4-7-12-18)21-14-10-17-22-15-8-5-9-16-22/h4,6-7,11-12,19-21,23H,2-3,5,8-10,13-17H2,1H3/t19-,20+/m0/s1
InChIKeyHUZZRECXIGRPQX-VQTJNVASSA-N
MW318.50 g/mol
LogP3.74
Rot. Bonds10

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

(1R,2S)-1-phenyl-2-(3-piperidin-1-ylpropylamino)hexan-1-ol (PubChem CID 24834662) has the molecular formula C20H34N2O and a molecular weight of 318.50 g/mol. Its IUPAC name is (1R,2S)-1-phenyl-2-(3-piperidin-1-ylpropylamino)hexan-1-ol.

Molecular Properties

Compound Name(1R,2S)-1-phenyl-2-(3-piperidin-1-ylpropylamino)hexan-1-ol
PubChem CID24834662
Molecular FormulaC20H34N2O
Molecular Weight318.50 g/mol
Exact Mass318.27
IUPAC Name(1R,2S)-1-phenyl-2-(3-piperidin-1-ylpropylamino)hexan-1-ol
SMILESCCCC[C@H](NCCCN1CCCCC1)[C@H](O)c1ccccc1
InChIInChI=1S/C20H34N2O/c1-2-3-13-19(20(23)18-11-6-4-7-12-18)21-14-10-17-22-15-8-5-9-16-22/h4,6-7,11-12,19-21,23H,2-3,5,8-10,13-17H2,1H3/t19-,20+/m0/s1
InChIKeyHUZZRECXIGRPQX-VQTJNVASSA-N
XLogP3.74
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.50
LogP ≤ 53.74
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,2R)-5-methyl-1-phenyl-2-(3-piperidin-1-ylpropylamino)hexan-1-ol
CID 24834651
(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
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
octyl N-[(1R,2R)-1-hydroxy-1-phenyl-3-pyrrolidin-1-ylpropan-2-yl]carbamate
CID 54510038
1-[2-(1-phenylethylamino)ethyl]-3-(3-piperidin-1-ylpropyl)urea
CID 143176399
N-[3-(azepan-1-yl)propyl]-2-[ethyl(methyl)amino]-2-phenylacetamide
CID 56510564
1-phenyl-2-piperidin-1-yldodecan-1-ol;hydrochloride
CID 54602375
1-(6,6-diphenylhexyl)piperidine
CID 161365973
N-[1-(2-ethoxyphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine
CID 43108073

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-phenyl-2-(3-piperidin-1-ylpropylamino)hexan-1-ol?
The IUPAC name of (1R,2S)-1-phenyl-2-(3-piperidin-1-ylpropylamino)hexan-1-ol (CID 24834662) is (1R,2S)-1-phenyl-2-(3-piperidin-1-ylpropylamino)hexan-1-ol.
What is the SMILES notation for (1R,2S)-1-phenyl-2-(3-piperidin-1-ylpropylamino)hexan-1-ol?
The canonical SMILES for (1R,2S)-1-phenyl-2-(3-piperidin-1-ylpropylamino)hexan-1-ol is CCCC[C@H](NCCCN1CCCCC1)[C@H](O)c1ccccc1.
What is the InChIKey of (1R,2S)-1-phenyl-2-(3-piperidin-1-ylpropylamino)hexan-1-ol?
The InChIKey is HUZZRECXIGRPQX-VQTJNVASSA-N. The full InChI is InChI=1S/C20H34N2O/c1-2-3-13-19(20(23)18-11-6-4-7-12-18)21-14-10-17-22-15-8-5-9-16-22/h4,6-7,11-12,19-21,23H,2-3,5,8-10,13-17H2,1H3/t19-,20+/m0/s1.
What are the key properties of (1R,2S)-1-phenyl-2-(3-piperidin-1-ylpropylamino)hexan-1-ol?
(1R,2S)-1-phenyl-2-(3-piperidin-1-ylpropylamino)hexan-1-ol has a molecular weight of 318.50 g/mol, XLogP of 3.74, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-phenyl-2-(3-piperidin-1-ylpropylamino)hexan-1-ol is sourced from PubChem (CID 24834662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).