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

C19H21ClFNO2 — CID 66764282

IUPAC4-(3-chloro-4-fluorophenyl)-1-[(3-methoxyphenyl)methyl]piperidin-4-ol
SMILESCOc1cccc(CN2CCC(O)(c3ccc(F)c(Cl)c3)CC2)c1
InChIInChI=1S/C19H21ClFNO2/c1-24-16-4-2-3-14(11-16)13-22-9-7-19(23,8-10-22)15-5-6-18(21)17(20)12-15/h2-6,11-12,23H,7-10,13H2,1H3
InChIKeyCAQFWHUXJROMAT-UHFFFAOYSA-N
MW349.83 g/mol
LogP3.97
Rot. Bonds4

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

4-(3-chloro-4-fluorophenyl)-1-[(3-methoxyphenyl)methyl]piperidin-4-ol (PubChem CID 66764282) has the molecular formula C19H21ClFNO2 and a molecular weight of 349.83 g/mol. Its IUPAC name is 4-(3-chloro-4-fluorophenyl)-1-[(3-methoxyphenyl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(3-chloro-4-fluorophenyl)-1-[(3-methoxyphenyl)methyl]piperidin-4-ol
PubChem CID66764282
Molecular FormulaC19H21ClFNO2
Molecular Weight349.83 g/mol
Exact Mass349.12
IUPAC Name4-(3-chloro-4-fluorophenyl)-1-[(3-methoxyphenyl)methyl]piperidin-4-ol
SMILESCOc1cccc(CN2CCC(O)(c3ccc(F)c(Cl)c3)CC2)c1
InChIInChI=1S/C19H21ClFNO2/c1-24-16-4-2-3-14(11-16)13-22-9-7-19(23,8-10-22)15-5-6-18(21)17(20)12-15/h2-6,11-12,23H,7-10,13H2,1H3
InChIKeyCAQFWHUXJROMAT-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methoxyphenyl)-1-(pyridin-4-ylmethyl)piperidin-4-ol
CID 1446411
N-(4-chlorophenyl)-5-[4-hydroxy-1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-1-benzofuran-2-carboxamide
CID 30956846
4-(4-fluorophenyl)-1-[[3-(2-methoxyethoxy)phenyl]methyl]piperidin-4-ol
CID 16677696
1-[(2,6-dichlorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine
CID 22195001
1-[(3-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 2873492
7-[(3-methoxyphenyl)methyl]-2-oxa-7-azaspiro[3.5]nonane
CID 97374489
4-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]piperidin-4-ol;hydrochloride
CID 42624389
1-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 22199424
1-benzyl-4-(3,5-difluorophenyl)piperidin-4-ol
CID 139966182
4-[1-benzyl-4-(3-methoxyphenyl)piperidin-4-yl]phenol
CID 22729919
1-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)piperidin-3-ol;hydrochloride
CID 11631684
1-benzyl-4-(4-fluorophenyl)piperidin-4-ol;hydrochloride
CID 71627119

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluorophenyl)-1-[(3-methoxyphenyl)methyl]piperidin-4-ol?
The IUPAC name of 4-(3-chloro-4-fluorophenyl)-1-[(3-methoxyphenyl)methyl]piperidin-4-ol (CID 66764282) is 4-(3-chloro-4-fluorophenyl)-1-[(3-methoxyphenyl)methyl]piperidin-4-ol.
What is the SMILES notation for 4-(3-chloro-4-fluorophenyl)-1-[(3-methoxyphenyl)methyl]piperidin-4-ol?
The canonical SMILES for 4-(3-chloro-4-fluorophenyl)-1-[(3-methoxyphenyl)methyl]piperidin-4-ol is COc1cccc(CN2CCC(O)(c3ccc(F)c(Cl)c3)CC2)c1.
What is the InChIKey of 4-(3-chloro-4-fluorophenyl)-1-[(3-methoxyphenyl)methyl]piperidin-4-ol?
The InChIKey is CAQFWHUXJROMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFNO2/c1-24-16-4-2-3-14(11-16)13-22-9-7-19(23,8-10-22)15-5-6-18(21)17(20)12-15/h2-6,11-12,23H,7-10,13H2,1H3.
What are the key properties of 4-(3-chloro-4-fluorophenyl)-1-[(3-methoxyphenyl)methyl]piperidin-4-ol?
4-(3-chloro-4-fluorophenyl)-1-[(3-methoxyphenyl)methyl]piperidin-4-ol has a molecular weight of 349.83 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-fluorophenyl)-1-[(3-methoxyphenyl)methyl]piperidin-4-ol is sourced from PubChem (CID 66764282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).