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

C19H21ClFNO2 — CID 66764283

IUPAC1-[[4-(3-chloro-4-fluorophenyl)-3-methoxyphenyl]methyl]piperidin-4-ol
SMILESCOc1cc(CN2CCC(O)CC2)ccc1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C19H21ClFNO2/c1-24-19-10-13(12-22-8-6-15(23)7-9-22)2-4-16(19)14-3-5-18(21)17(20)11-14/h2-5,10-11,15,23H,6-9,12H2,1H3
InChIKeyBZXPXAAGVCMHCQ-UHFFFAOYSA-N
MW349.83 g/mol
LogP4.11
Rot. Bonds4

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

1-[[4-(3-chloro-4-fluorophenyl)-3-methoxyphenyl]methyl]piperidin-4-ol (PubChem CID 66764283) has the molecular formula C19H21ClFNO2 and a molecular weight of 349.83 g/mol. Its IUPAC name is 1-[[4-(3-chloro-4-fluorophenyl)-3-methoxyphenyl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[4-(3-chloro-4-fluorophenyl)-3-methoxyphenyl]methyl]piperidin-4-ol
PubChem CID66764283
Molecular FormulaC19H21ClFNO2
Molecular Weight349.83 g/mol
Exact Mass349.12
IUPAC Name1-[[4-(3-chloro-4-fluorophenyl)-3-methoxyphenyl]methyl]piperidin-4-ol
SMILESCOc1cc(CN2CCC(O)CC2)ccc1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C19H21ClFNO2/c1-24-19-10-13(12-22-8-6-15(23)7-9-22)2-4-16(19)14-3-5-18(21)17(20)11-14/h2-5,10-11,15,23H,6-9,12H2,1H3
InChIKeyBZXPXAAGVCMHCQ-UHFFFAOYSA-N
XLogP4.11
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.83
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(3-chloro-4-fluorophenyl)methyl]piperidin-4-yl]piperidin-4-ol
CID 70735974
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-[[4-(2-amino-5-chlorophenyl)phenyl]methyl]piperidin-4-ol
CID 69336944
1-[3-[4-[(4-fluoropiperidin-1-yl)methyl]-2-methoxyphenoxy]-2-hydroxypropyl]piperidin-4-ol
CID 72869940
1-[(2R)-3-[4-[(4-fluoropiperidin-1-yl)methyl]-2-methoxyphenoxy]-2-hydroxypropyl]piperidin-4-ol
CID 97273948
methyl 2-fluoro-4-[(4-hydroxypiperidin-1-yl)methyl]benzoate
CID 103749166
1-[(3-chloro-4-fluorophenyl)methyl]piperidine-4-carbothioamide
CID 103038018
1-[(3-chloro-4-fluorophenyl)methyl]azetidine
CID 126990716
1-[(3-amino-4-chlorophenyl)methyl]piperidin-4-ol
CID 43169013
1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-ol
CID 24904753
5-chloro-2-[[4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]phenyl]methyl]isoindole-1,3-dione
CID 23108975

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(3-chloro-4-fluorophenyl)-3-methoxyphenyl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[4-(3-chloro-4-fluorophenyl)-3-methoxyphenyl]methyl]piperidin-4-ol (CID 66764283) is 1-[[4-(3-chloro-4-fluorophenyl)-3-methoxyphenyl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[4-(3-chloro-4-fluorophenyl)-3-methoxyphenyl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[4-(3-chloro-4-fluorophenyl)-3-methoxyphenyl]methyl]piperidin-4-ol is COc1cc(CN2CCC(O)CC2)ccc1-c1ccc(F)c(Cl)c1.
What is the InChIKey of 1-[[4-(3-chloro-4-fluorophenyl)-3-methoxyphenyl]methyl]piperidin-4-ol?
The InChIKey is BZXPXAAGVCMHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFNO2/c1-24-19-10-13(12-22-8-6-15(23)7-9-22)2-4-16(19)14-3-5-18(21)17(20)11-14/h2-5,10-11,15,23H,6-9,12H2,1H3.
What are the key properties of 1-[[4-(3-chloro-4-fluorophenyl)-3-methoxyphenyl]methyl]piperidin-4-ol?
1-[[4-(3-chloro-4-fluorophenyl)-3-methoxyphenyl]methyl]piperidin-4-ol has a molecular weight of 349.83 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(3-chloro-4-fluorophenyl)-3-methoxyphenyl]methyl]piperidin-4-ol is sourced from PubChem (CID 66764283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).