[1-[(4-chlorophenyl)methyl]-3-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methanol

C20H22ClF2NO — CID 23723640

IUPAC[1-[(4-chlorophenyl)methyl]-3-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methanol
SMILESOCC1(Cc2ccc(F)cc2F)CCCN(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C20H22ClF2NO/c21-17-5-2-15(3-6-17)12-24-9-1-8-20(13-24,14-25)11-16-4-7-18(22)10-19(16)23/h2-7,10,25H,1,8-9,11-14H2
InChIKeyVCRQXPAUVWQEBD-UHFFFAOYSA-N
MW365.85 g/mol
LogP4.44
Rot. Bonds5

About [1-[(4-chlorophenyl)methyl]-3-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methanol

[1-[(4-chlorophenyl)methyl]-3-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methanol (PubChem CID 23723640) has the molecular formula C20H22ClF2NO and a molecular weight of 365.85 g/mol. Its IUPAC name is [1-[(4-chlorophenyl)methyl]-3-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(4-chlorophenyl)methyl]-3-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methanol
PubChem CID23723640
Molecular FormulaC20H22ClF2NO
Molecular Weight365.85 g/mol
Exact Mass365.14
IUPAC Name[1-[(4-chlorophenyl)methyl]-3-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methanol
SMILESOCC1(Cc2ccc(F)cc2F)CCCN(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C20H22ClF2NO/c21-17-5-2-15(3-6-17)12-24-9-1-8-20(13-24,14-25)11-16-4-7-18(22)10-19(16)23/h2-7,10,25H,1,8-9,11-14H2
InChIKeyVCRQXPAUVWQEBD-UHFFFAOYSA-N
XLogP4.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.85
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-chlorophenyl)methyl]-3-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[(4-chlorophenyl)methyl]-3-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methanol (CID 23723640) is [1-[(4-chlorophenyl)methyl]-3-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[(4-chlorophenyl)methyl]-3-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[(4-chlorophenyl)methyl]-3-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methanol is OCC1(Cc2ccc(F)cc2F)CCCN(Cc2ccc(Cl)cc2)C1.
What is the InChIKey of [1-[(4-chlorophenyl)methyl]-3-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methanol?
The InChIKey is VCRQXPAUVWQEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClF2NO/c21-17-5-2-15(3-6-17)12-24-9-1-8-20(13-24,14-25)11-16-4-7-18(22)10-19(16)23/h2-7,10,25H,1,8-9,11-14H2.
What are the key properties of [1-[(4-chlorophenyl)methyl]-3-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methanol?
[1-[(4-chlorophenyl)methyl]-3-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methanol has a molecular weight of 365.85 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-chlorophenyl)methyl]-3-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 23723640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).