3-[4-[bis(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]propan-1-ol

C21H25Cl2NO2 — CID 19989943

IUPAC3-[4-[bis(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]propan-1-ol
SMILESOCCCN1CCC(C(O)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H25Cl2NO2/c22-19-6-2-16(3-7-19)21(26,17-4-8-20(23)9-5-17)18-10-13-24(14-11-18)12-1-15-25/h2-9,18,25-26H,1,10-15H2
InChIKeyIRPUOFMCNNJPES-UHFFFAOYSA-N
MW394.34 g/mol
LogP4.32
Rot. Bonds6

About 3-[4-[bis(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]propan-1-ol

3-[4-[bis(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]propan-1-ol (PubChem CID 19989943) has the molecular formula C21H25Cl2NO2 and a molecular weight of 394.34 g/mol. Its IUPAC name is 3-[4-[bis(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[bis(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]propan-1-ol
PubChem CID19989943
Molecular FormulaC21H25Cl2NO2
Molecular Weight394.34 g/mol
Exact Mass393.13
IUPAC Name3-[4-[bis(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]propan-1-ol
SMILESOCCCN1CCC(C(O)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H25Cl2NO2/c22-19-6-2-16(3-7-19)21(26,17-4-8-20(23)9-5-17)18-10-13-24(14-11-18)12-1-15-25/h2-9,18,25-26H,1,10-15H2
InChIKeyIRPUOFMCNNJPES-UHFFFAOYSA-N
XLogP4.32
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.34
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[3-(4-chlorophenoxy)propyl]piperidin-4-yl]-diphenylmethanol
CID 44907120
2-[3-[4-[(4-chlorophenyl)-hydroxy-phenylmethyl]piperidin-1-yl]propyl-propan-2-ylamino]-4-methylphenol
CID 10346108
(1-butylazepan-4-yl)-diphenylmethanol
CID 21135914
5-[4-[hydroxy-bis(4-methylphenyl)methyl]piperidin-1-yl]-N,N-dimethylpentanamide
CID 19992273
4-[4-[bis(3,4-difluorophenyl)-hydroxymethyl]piperidin-1-yl]-N,N-dimethylbutanamide
CID 19992279
1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol;ethanol
CID 66603923
(2S)-1-(4-chlorophenoxy)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propan-2-ol
CID 53464119
6-[4-[hydroxy-bis(4-methoxyphenyl)methyl]piperidin-1-yl]-N,N-dimethylhexanamide
CID 19992327
4-[3-[4-[bis(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]propoxy]benzonitrile
CID 14407100
bis(4-fluorophenyl)-[1-(3-phenoxypropyl)piperidin-4-yl]methanol;oxalic acid
CID 23036403
5-[4-[bis(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]pentyl N-methylcarbamate
CID 15042256
9-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-phenylnonane-1,6-diol
CID 141172908

Frequently Asked Questions

What is the IUPAC name of 3-[4-[bis(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]propan-1-ol?
The IUPAC name of 3-[4-[bis(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]propan-1-ol (CID 19989943) is 3-[4-[bis(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-[bis(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-[bis(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]propan-1-ol is OCCCN1CCC(C(O)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 3-[4-[bis(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]propan-1-ol?
The InChIKey is IRPUOFMCNNJPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl2NO2/c22-19-6-2-16(3-7-19)21(26,17-4-8-20(23)9-5-17)18-10-13-24(14-11-18)12-1-15-25/h2-9,18,25-26H,1,10-15H2.
What are the key properties of 3-[4-[bis(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]propan-1-ol?
3-[4-[bis(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]propan-1-ol has a molecular weight of 394.34 g/mol, XLogP of 4.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[bis(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]propan-1-ol is sourced from PubChem (CID 19989943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).