1-benzyl-3-[(2,4-dichlorophenyl)methyl]piperidin-4-ol

C19H21Cl2NO — CID 110535833

IUPAC1-benzyl-3-[(2,4-dichlorophenyl)methyl]piperidin-4-ol
SMILESOC1CCN(Cc2ccccc2)CC1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H21Cl2NO/c20-17-7-6-15(18(21)11-17)10-16-13-22(9-8-19(16)23)12-14-4-2-1-3-5-14/h1-7,11,16,19,23H,8-10,12-13H2
InChIKeyGTSFOGUSSVTTJF-UHFFFAOYSA-N
MW350.29 g/mol
LogP4.42
Rot. Bonds4

About 1-benzyl-3-[(2,4-dichlorophenyl)methyl]piperidin-4-ol

1-benzyl-3-[(2,4-dichlorophenyl)methyl]piperidin-4-ol (PubChem CID 110535833) has the molecular formula C19H21Cl2NO and a molecular weight of 350.29 g/mol. Its IUPAC name is 1-benzyl-3-[(2,4-dichlorophenyl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-benzyl-3-[(2,4-dichlorophenyl)methyl]piperidin-4-ol
PubChem CID110535833
Molecular FormulaC19H21Cl2NO
Molecular Weight350.29 g/mol
Exact Mass349.10
IUPAC Name1-benzyl-3-[(2,4-dichlorophenyl)methyl]piperidin-4-ol
SMILESOC1CCN(Cc2ccccc2)CC1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H21Cl2NO/c20-17-7-6-15(18(21)11-17)10-16-13-22(9-8-19(16)23)12-14-4-2-1-3-5-14/h1-7,11,16,19,23H,8-10,12-13H2
InChIKeyGTSFOGUSSVTTJF-UHFFFAOYSA-N
XLogP4.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.29
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-[(2-chloro-4-nonoxyphenyl)methyl]piperidin-4-ol
CID 110529722
1-benzyl-3-[(3,5-dichloro-2,4-dimethoxyphenyl)methyl]piperidin-4-ol
CID 110531863
1-benzyl-3-ethylpiperidin-4-ol
CID 23003710
1-benzyl-3-[(4-ethylphenyl)methyl]piperidin-4-ol
CID 110538160
1-benzyl-3-(2,4-dichlorophenyl)pyrrolidine
CID 173052074
1-benzyl-3-(hydroxymethyl)piperidin-4-ol;methanol
CID 158581006
1-benzyl-3-propylpiperidin-4-ol
CID 23003650
1-benzyl-3-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
CID 110535914
1-benzyl-3-[[3,5-dichloro-4-(2-methylpropoxy)phenyl]methyl]piperidin-4-ol
CID 110531194
3-[(3-chlorophenyl)methyl]-1-ethylpiperidin-4-ol
CID 110540158
1-[(2,5-dichlorophenyl)methyl]-3-ethylpiperidin-4-ol
CID 114511185
1-benzyl-4-(iodomethyl)piperidin-3-ol
CID 71649873

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(2,4-dichlorophenyl)methyl]piperidin-4-ol?
The IUPAC name of 1-benzyl-3-[(2,4-dichlorophenyl)methyl]piperidin-4-ol (CID 110535833) is 1-benzyl-3-[(2,4-dichlorophenyl)methyl]piperidin-4-ol.
What is the SMILES notation for 1-benzyl-3-[(2,4-dichlorophenyl)methyl]piperidin-4-ol?
The canonical SMILES for 1-benzyl-3-[(2,4-dichlorophenyl)methyl]piperidin-4-ol is OC1CCN(Cc2ccccc2)CC1Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-benzyl-3-[(2,4-dichlorophenyl)methyl]piperidin-4-ol?
The InChIKey is GTSFOGUSSVTTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2NO/c20-17-7-6-15(18(21)11-17)10-16-13-22(9-8-19(16)23)12-14-4-2-1-3-5-14/h1-7,11,16,19,23H,8-10,12-13H2.
What are the key properties of 1-benzyl-3-[(2,4-dichlorophenyl)methyl]piperidin-4-ol?
1-benzyl-3-[(2,4-dichlorophenyl)methyl]piperidin-4-ol has a molecular weight of 350.29 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(2,4-dichlorophenyl)methyl]piperidin-4-ol is sourced from PubChem (CID 110535833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).