1-[1-[(3-chloro-5-fluorophenyl)methyl]piperidin-4-yl]piperidin-4-ol

C17H24ClFN2O — CID 70775725

IUPAC1-[1-[(3-chloro-5-fluorophenyl)methyl]piperidin-4-yl]piperidin-4-ol
SMILESOC1CCN(C2CCN(Cc3cc(F)cc(Cl)c3)CC2)CC1
InChIInChI=1S/C17H24ClFN2O/c18-14-9-13(10-15(19)11-14)12-20-5-1-16(2-6-20)21-7-3-17(22)4-8-21/h9-11,16-17,22H,1-8,12H2
InChIKeyKUBHCXOZRQZUDH-UHFFFAOYSA-N
MW326.84 g/mol
LogP2.90
Rot. Bonds3

About 1-[1-[(3-chloro-5-fluorophenyl)methyl]piperidin-4-yl]piperidin-4-ol

1-[1-[(3-chloro-5-fluorophenyl)methyl]piperidin-4-yl]piperidin-4-ol (PubChem CID 70775725) has the molecular formula C17H24ClFN2O and a molecular weight of 326.84 g/mol. Its IUPAC name is 1-[1-[(3-chloro-5-fluorophenyl)methyl]piperidin-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[1-[(3-chloro-5-fluorophenyl)methyl]piperidin-4-yl]piperidin-4-ol
PubChem CID70775725
Molecular FormulaC17H24ClFN2O
Molecular Weight326.84 g/mol
Exact Mass326.16
IUPAC Name1-[1-[(3-chloro-5-fluorophenyl)methyl]piperidin-4-yl]piperidin-4-ol
SMILESOC1CCN(C2CCN(Cc3cc(F)cc(Cl)c3)CC2)CC1
InChIInChI=1S/C17H24ClFN2O/c18-14-9-13(10-15(19)11-14)12-20-5-1-16(2-6-20)21-7-3-17(22)4-8-21/h9-11,16-17,22H,1-8,12H2
InChIKeyKUBHCXOZRQZUDH-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

Analyze 1-[1-[(3-chloro-5-fluorophenyl)methyl]piperidin-4-yl]piperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-[(3-chloro-4-fluorophenyl)methyl]piperidin-4-yl]piperidin-4-ol
CID 70735974
1-(1-benzylpiperidin-4-yl)piperidin-4-ol
CID 67272846
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)-4-[(3-fluorophenyl)methyl]piperazine
CID 1361233
2-[[1-[(3-chloro-5-fluorophenyl)methyl]piperidin-4-yl]-ethylamino]acetic acid
CID 122043247
3-[(4-cyclopropylpiperazin-1-yl)methyl]-5-fluoroaniline
CID 112646026
1-[(3-chloro-5-fluorophenyl)methyl]-3-ethylpiperidin-4-amine
CID 114453815
(4R,5S)-9-[(3-chloro-5-fluorophenyl)methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undecane-4,5-diol
CID 135088387
1-benzyl-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperazine
CID 1334692
(3S)-1-[(3-bromo-5-fluorophenyl)methyl]pyrrolidin-3-ol
CID 79673830
1-[(3-amino-5-fluorophenyl)methyl]pyrrolidin-3-ol
CID 112646139

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-chloro-5-fluorophenyl)methyl]piperidin-4-yl]piperidin-4-ol?
The IUPAC name of 1-[1-[(3-chloro-5-fluorophenyl)methyl]piperidin-4-yl]piperidin-4-ol (CID 70775725) is 1-[1-[(3-chloro-5-fluorophenyl)methyl]piperidin-4-yl]piperidin-4-ol.
What is the SMILES notation for 1-[1-[(3-chloro-5-fluorophenyl)methyl]piperidin-4-yl]piperidin-4-ol?
The canonical SMILES for 1-[1-[(3-chloro-5-fluorophenyl)methyl]piperidin-4-yl]piperidin-4-ol is OC1CCN(C2CCN(Cc3cc(F)cc(Cl)c3)CC2)CC1.
What is the InChIKey of 1-[1-[(3-chloro-5-fluorophenyl)methyl]piperidin-4-yl]piperidin-4-ol?
The InChIKey is KUBHCXOZRQZUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClFN2O/c18-14-9-13(10-15(19)11-14)12-20-5-1-16(2-6-20)21-7-3-17(22)4-8-21/h9-11,16-17,22H,1-8,12H2.
What are the key properties of 1-[1-[(3-chloro-5-fluorophenyl)methyl]piperidin-4-yl]piperidin-4-ol?
1-[1-[(3-chloro-5-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-5-fluorophenyl)methyl]piperidin-4-yl]piperidin-4-ol is sourced from PubChem (CID 70775725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).