[3-[(3-chlorophenyl)methyl]-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]methanol

C21H25ClFNO2 — CID 23723435

IUPAC[3-[(3-chlorophenyl)methyl]-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]methanol
SMILESCOc1ccc(F)c(CN2CCCC(CO)(Cc3cccc(Cl)c3)C2)c1
InChIInChI=1S/C21H25ClFNO2/c1-26-19-6-7-20(23)17(11-19)13-24-9-3-8-21(14-24,15-25)12-16-4-2-5-18(22)10-16/h2,4-7,10-11,25H,3,8-9,12-15H2,1H3
InChIKeyIENGYQWQRIPTCJ-UHFFFAOYSA-N
MW377.89 g/mol
LogP4.30
Rot. Bonds6

About [3-[(3-chlorophenyl)methyl]-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]methanol

[3-[(3-chlorophenyl)methyl]-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]methanol (PubChem CID 23723435) has the molecular formula C21H25ClFNO2 and a molecular weight of 377.89 g/mol. Its IUPAC name is [3-[(3-chlorophenyl)methyl]-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[3-[(3-chlorophenyl)methyl]-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]methanol
PubChem CID23723435
Molecular FormulaC21H25ClFNO2
Molecular Weight377.89 g/mol
Exact Mass377.16
IUPAC Name[3-[(3-chlorophenyl)methyl]-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]methanol
SMILESCOc1ccc(F)c(CN2CCCC(CO)(Cc3cccc(Cl)c3)C2)c1
InChIInChI=1S/C21H25ClFNO2/c1-26-19-6-7-20(23)17(11-19)13-24-9-3-8-21(14-24,15-25)12-16-4-2-5-18(22)10-16/h2,4-7,10-11,25H,3,8-9,12-15H2,1H3
InChIKeyIENGYQWQRIPTCJ-UHFFFAOYSA-N
XLogP4.30
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.89
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[(3-chlorophenyl)methyl]-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [3-[(3-chlorophenyl)methyl]-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]methanol (CID 23723435) is [3-[(3-chlorophenyl)methyl]-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [3-[(3-chlorophenyl)methyl]-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [3-[(3-chlorophenyl)methyl]-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]methanol is COc1ccc(F)c(CN2CCCC(CO)(Cc3cccc(Cl)c3)C2)c1.
What is the InChIKey of [3-[(3-chlorophenyl)methyl]-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]methanol?
The InChIKey is IENGYQWQRIPTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClFNO2/c1-26-19-6-7-20(23)17(11-19)13-24-9-3-8-21(14-24,15-25)12-16-4-2-5-18(22)10-16/h2,4-7,10-11,25H,3,8-9,12-15H2,1H3.
What are the key properties of [3-[(3-chlorophenyl)methyl]-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]methanol?
[3-[(3-chlorophenyl)methyl]-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]methanol has a molecular weight of 377.89 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-chlorophenyl)methyl]-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 23723435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).