1-benzyl-3-[(3,5-dichloro-2,4-dimethoxyphenyl)methyl]piperidin-4-ol

C21H25Cl2NO3 — CID 110531863

IUPAC1-benzyl-3-[(3,5-dichloro-2,4-dimethoxyphenyl)methyl]piperidin-4-ol
SMILESCOc1c(Cl)cc(CC2CN(Cc3ccccc3)CCC2O)c(OC)c1Cl
InChIInChI=1S/C21H25Cl2NO3/c1-26-20-15(11-17(22)21(27-2)19(20)23)10-16-13-24(9-8-18(16)25)12-14-6-4-3-5-7-14/h3-7,11,16,18,25H,8-10,12-13H2,1-2H3
InChIKeyFCLPJFOOYSJJNI-UHFFFAOYSA-N
MW410.34 g/mol
LogP4.44
Rot. Bonds6

About 1-benzyl-3-[(3,5-dichloro-2,4-dimethoxyphenyl)methyl]piperidin-4-ol

1-benzyl-3-[(3,5-dichloro-2,4-dimethoxyphenyl)methyl]piperidin-4-ol (PubChem CID 110531863) has the molecular formula C21H25Cl2NO3 and a molecular weight of 410.34 g/mol. Its IUPAC name is 1-benzyl-3-[(3,5-dichloro-2,4-dimethoxyphenyl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-benzyl-3-[(3,5-dichloro-2,4-dimethoxyphenyl)methyl]piperidin-4-ol
PubChem CID110531863
Molecular FormulaC21H25Cl2NO3
Molecular Weight410.34 g/mol
Exact Mass409.12
IUPAC Name1-benzyl-3-[(3,5-dichloro-2,4-dimethoxyphenyl)methyl]piperidin-4-ol
SMILESCOc1c(Cl)cc(CC2CN(Cc3ccccc3)CCC2O)c(OC)c1Cl
InChIInChI=1S/C21H25Cl2NO3/c1-26-20-15(11-17(22)21(27-2)19(20)23)10-16-13-24(9-8-18(16)25)12-14-6-4-3-5-7-14/h3-7,11,16,18,25H,8-10,12-13H2,1-2H3
InChIKeyFCLPJFOOYSJJNI-UHFFFAOYSA-N
XLogP4.44
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.34
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3,5-dichloro-2,4-dimethoxyphenyl)methyl]-1-ethylpiperidin-4-ol
CID 110535975
1-benzyl-3-[(2,4-dichlorophenyl)methyl]piperidin-4-ol
CID 110535833
1-benzyl-3-[[3,5-dichloro-4-(2-methylpropoxy)phenyl]methyl]piperidin-4-ol
CID 110531194
1-benzyl-3-ethylpiperidin-4-ol
CID 23003710
1-benzyl-3-[(2-chloro-4-nonoxyphenyl)methyl]piperidin-4-ol
CID 110529722
1-benzyl-3-[(4-ethylphenyl)methyl]piperidin-4-ol
CID 110538160
1-benzyl-3-(hydroxymethyl)piperidin-4-ol;methanol
CID 158581006
1-benzyl-3-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]piperidin-4-ol
CID 110533457
1-benzyl-3-propylpiperidin-4-ol
CID 23003650
1-benzyl-3-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
CID 110535914
1-benzyl-3-methoxypiperidin-4-ol
CID 54277205
1-ethyl-3-[(2-methoxyphenyl)methyl]piperidin-4-ol
CID 110540222

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(3,5-dichloro-2,4-dimethoxyphenyl)methyl]piperidin-4-ol?
The IUPAC name of 1-benzyl-3-[(3,5-dichloro-2,4-dimethoxyphenyl)methyl]piperidin-4-ol (CID 110531863) is 1-benzyl-3-[(3,5-dichloro-2,4-dimethoxyphenyl)methyl]piperidin-4-ol.
What is the SMILES notation for 1-benzyl-3-[(3,5-dichloro-2,4-dimethoxyphenyl)methyl]piperidin-4-ol?
The canonical SMILES for 1-benzyl-3-[(3,5-dichloro-2,4-dimethoxyphenyl)methyl]piperidin-4-ol is COc1c(Cl)cc(CC2CN(Cc3ccccc3)CCC2O)c(OC)c1Cl.
What is the InChIKey of 1-benzyl-3-[(3,5-dichloro-2,4-dimethoxyphenyl)methyl]piperidin-4-ol?
The InChIKey is FCLPJFOOYSJJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl2NO3/c1-26-20-15(11-17(22)21(27-2)19(20)23)10-16-13-24(9-8-18(16)25)12-14-6-4-3-5-7-14/h3-7,11,16,18,25H,8-10,12-13H2,1-2H3.
What are the key properties of 1-benzyl-3-[(3,5-dichloro-2,4-dimethoxyphenyl)methyl]piperidin-4-ol?
1-benzyl-3-[(3,5-dichloro-2,4-dimethoxyphenyl)methyl]piperidin-4-ol has a molecular weight of 410.34 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(3,5-dichloro-2,4-dimethoxyphenyl)methyl]piperidin-4-ol is sourced from PubChem (CID 110531863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).