1-[1-[(3-chloro-4-fluorophenyl)methyl]piperidin-4-yl]piperidin-4-ol

C17H24ClFN2O — CID 70735974

IUPAC1-[1-[(3-chloro-4-fluorophenyl)methyl]piperidin-4-yl]piperidin-4-ol
SMILESOC1CCN(C2CCN(Cc3ccc(F)c(Cl)c3)CC2)CC1
InChIInChI=1S/C17H24ClFN2O/c18-16-11-13(1-2-17(16)19)12-20-7-3-14(4-8-20)21-9-5-15(22)6-10-21/h1-2,11,14-15,22H,3-10,12H2
InChIKeyUYWPICGESJLFEU-UHFFFAOYSA-N
MW326.84 g/mol
LogP2.90
Rot. Bonds3

About 1-[1-[(3-chloro-4-fluorophenyl)methyl]piperidin-4-yl]piperidin-4-ol

1-[1-[(3-chloro-4-fluorophenyl)methyl]piperidin-4-yl]piperidin-4-ol (PubChem CID 70735974) has the molecular formula C17H24ClFN2O and a molecular weight of 326.84 g/mol. Its IUPAC name is 1-[1-[(3-chloro-4-fluorophenyl)methyl]piperidin-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[1-[(3-chloro-4-fluorophenyl)methyl]piperidin-4-yl]piperidin-4-ol
PubChem CID70735974
Molecular FormulaC17H24ClFN2O
Molecular Weight326.84 g/mol
Exact Mass326.16
IUPAC Name1-[1-[(3-chloro-4-fluorophenyl)methyl]piperidin-4-yl]piperidin-4-ol
SMILESOC1CCN(C2CCN(Cc3ccc(F)c(Cl)c3)CC2)CC1
InChIInChI=1S/C17H24ClFN2O/c18-16-11-13(1-2-17(16)19)12-20-7-3-14(4-8-20)21-9-5-15(22)6-10-21/h1-2,11,14-15,22H,3-10,12H2
InChIKeyUYWPICGESJLFEU-UHFFFAOYSA-N
XLogP2.90
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.84
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(3-chloro-5-fluorophenyl)methyl]piperidin-4-yl]piperidin-4-ol
CID 70775725
2-(3-chloro-4-fluorophenyl)-1-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]ethanone
CID 56905849
1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]piperidin-4-ol
CID 70765614
1-[(4-chlorophenyl)methyl]piperidin-4-ol
CID 764482
1-(1-benzylpiperidin-4-yl)piperidin-4-ol
CID 67272846
1-[(3-chloro-4-fluorophenyl)methyl]azetidine
CID 126990716
1-[[4-(3-chloro-4-fluorophenyl)-3-methoxyphenyl]methyl]piperidin-4-ol
CID 66764283
1-[(3-chloro-4-fluorophenyl)methyl]piperidine-4-carbothioamide
CID 103038018
1-[1-[(3-chloro-4-fluorophenyl)methyl]azetidin-3-yl]piperazine
CID 81154667
(3S,4R)-1-[(3-chloro-4-fluorophenyl)methyl]-4-hydroxypiperidine-3-carboxylic acid
CID 134706937
1-[(3-amino-4-chlorophenyl)methyl]piperidin-4-ol
CID 43169013
2-[1-[(3-chloro-4-fluorophenyl)methyl]piperidin-4-yl]ethylcarbamic acid
CID 68847048

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-chloro-4-fluorophenyl)methyl]piperidin-4-yl]piperidin-4-ol?
The IUPAC name of 1-[1-[(3-chloro-4-fluorophenyl)methyl]piperidin-4-yl]piperidin-4-ol (CID 70735974) is 1-[1-[(3-chloro-4-fluorophenyl)methyl]piperidin-4-yl]piperidin-4-ol.
What is the SMILES notation for 1-[1-[(3-chloro-4-fluorophenyl)methyl]piperidin-4-yl]piperidin-4-ol?
The canonical SMILES for 1-[1-[(3-chloro-4-fluorophenyl)methyl]piperidin-4-yl]piperidin-4-ol is OC1CCN(C2CCN(Cc3ccc(F)c(Cl)c3)CC2)CC1.
What is the InChIKey of 1-[1-[(3-chloro-4-fluorophenyl)methyl]piperidin-4-yl]piperidin-4-ol?
The InChIKey is UYWPICGESJLFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClFN2O/c18-16-11-13(1-2-17(16)19)12-20-7-3-14(4-8-20)21-9-5-15(22)6-10-21/h1-2,11,14-15,22H,3-10,12H2.
What are the key properties of 1-[1-[(3-chloro-4-fluorophenyl)methyl]piperidin-4-yl]piperidin-4-ol?
1-[1-[(3-chloro-4-fluorophenyl)methyl]piperidin-4-yl]piperidin-4-ol has a molecular weight of 326.84 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-chloro-4-fluorophenyl)methyl]piperidin-4-yl]piperidin-4-ol is sourced from PubChem (CID 70735974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).