1-(2,3,4,5,6-pentadeuteriophenyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol

C20H25NO — CID 163322578

IUPAC1-(2,3,4,5,6-pentadeuteriophenyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol
SMILES[2H]c1c([2H])c([2H])c(C(O)(CCN2CCCCC2)c2ccccc2)c([2H])c1[2H]
InChIInChI=1S/C20H25NO/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21/h1-2,4-7,10-13,22H,3,8-9,14-17H2/i1D,4D,5D,10D,11D
InChIKeyRQXCLMGKHJWMOA-ZWYOJXJXSA-N
MW300.46 g/mol
LogP3.80
Rot. Bonds5

About 1-(2,3,4,5,6-pentadeuteriophenyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol

1-(2,3,4,5,6-pentadeuteriophenyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol (PubChem CID 163322578) has the molecular formula C20H25NO and a molecular weight of 300.46 g/mol. Its IUPAC name is 1-(2,3,4,5,6-pentadeuteriophenyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol.

Molecular Properties

Compound Name1-(2,3,4,5,6-pentadeuteriophenyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol
PubChem CID163322578
Molecular FormulaC20H25NO
Molecular Weight300.46 g/mol
Exact Mass300.22
IUPAC Name1-(2,3,4,5,6-pentadeuteriophenyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol
SMILES[2H]c1c([2H])c([2H])c(C(O)(CCN2CCCCC2)c2ccccc2)c([2H])c1[2H]
InChIInChI=1S/C20H25NO/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21/h1-2,4-7,10-13,22H,3,8-9,14-17H2/i1D,4D,5D,10D,11D
InChIKeyRQXCLMGKHJWMOA-ZWYOJXJXSA-N
XLogP3.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.46
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-1,1-diphenylpropan-1-ol
CID 23441029
(1S)-1-cyclopentyl-1-phenyl-3-piperidin-1-ylpropan-1-ol;hydrochloride
CID 46878511
1-(4-chlorophenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol
CID 4072683
2-ethyl-2-phenyl-4-piperidin-1-ylbutanamide
CID 18110
1-cyclohexyl-1-phenyl-3-piperidin-1-ylpropan-1-ol;iodomethane
CID 21127105
2-amino-4-(azocan-1-yl)-2-phenylbutanamide
CID 116693501
1-(3,3-diphenyl-3-propoxypropyl)piperidine
CID 163484740
(5R)-1,1,5-triphenyl-5-piperidin-1-ylpentane-1,5-diol
CID 67766742
(1S)-1-(2-bicyclo[2.2.1]hept-5-enyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol;(1R)-1-(2-bicyclo[2.2.1]hept-5-enyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol
CID 160785140
2-(2-ethylphenyl)-2-phenyl-4-piperidin-1-ylbutanoic acid
CID 70474069
2,2-diphenyl-5-piperidin-1-ylpentan-1-amine
CID 22767303
2-cyclohexyl-2-phenyl-4-piperidin-1-ylbutanamide;oxalic acid
CID 24842549

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4,5,6-pentadeuteriophenyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol?
The IUPAC name of 1-(2,3,4,5,6-pentadeuteriophenyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol (CID 163322578) is 1-(2,3,4,5,6-pentadeuteriophenyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol.
What is the SMILES notation for 1-(2,3,4,5,6-pentadeuteriophenyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol?
The canonical SMILES for 1-(2,3,4,5,6-pentadeuteriophenyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol is [2H]c1c([2H])c([2H])c(C(O)(CCN2CCCCC2)c2ccccc2)c([2H])c1[2H].
What is the InChIKey of 1-(2,3,4,5,6-pentadeuteriophenyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol?
The InChIKey is RQXCLMGKHJWMOA-ZWYOJXJXSA-N. The full InChI is InChI=1S/C20H25NO/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21/h1-2,4-7,10-13,22H,3,8-9,14-17H2/i1D,4D,5D,10D,11D.
What are the key properties of 1-(2,3,4,5,6-pentadeuteriophenyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol?
1-(2,3,4,5,6-pentadeuteriophenyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol has a molecular weight of 300.46 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4,5,6-pentadeuteriophenyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol is sourced from PubChem (CID 163322578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).