[1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanol

C22H27F2NO3 — CID 23724073

IUPAC[1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanol
SMILESCOc1cccc(CC2(CO)CCCN(Cc3ccc(OC(F)F)cc3)C2)c1
InChIInChI=1S/C22H27F2NO3/c1-27-20-5-2-4-18(12-20)13-22(16-26)10-3-11-25(15-22)14-17-6-8-19(9-7-17)28-21(23)24/h2,4-9,12,21,26H,3,10-11,13-16H2,1H3
InChIKeyKYNVKPJXTWHFDI-UHFFFAOYSA-N
MW391.46 g/mol
LogP4.11
Rot. Bonds8

About [1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanol

[1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanol (PubChem CID 23724073) has the molecular formula C22H27F2NO3 and a molecular weight of 391.46 g/mol. Its IUPAC name is [1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanol
PubChem CID23724073
Molecular FormulaC22H27F2NO3
Molecular Weight391.46 g/mol
Exact Mass391.20
IUPAC Name[1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanol
SMILESCOc1cccc(CC2(CO)CCCN(Cc3ccc(OC(F)F)cc3)C2)c1
InChIInChI=1S/C22H27F2NO3/c1-27-20-5-2-4-18(12-20)13-22(16-26)10-3-11-25(15-22)14-17-6-8-19(9-7-17)28-21(23)24/h2,4-9,12,21,26H,3,10-11,13-16H2,1H3
InChIKeyKYNVKPJXTWHFDI-UHFFFAOYSA-N
XLogP4.11
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.46
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanol (CID 23724073) is [1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanol is COc1cccc(CC2(CO)CCCN(Cc3ccc(OC(F)F)cc3)C2)c1.
What is the InChIKey of [1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanol?
The InChIKey is KYNVKPJXTWHFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F2NO3/c1-27-20-5-2-4-18(12-20)13-22(16-26)10-3-11-25(15-22)14-17-6-8-19(9-7-17)28-21(23)24/h2,4-9,12,21,26H,3,10-11,13-16H2,1H3.
What are the key properties of [1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanol?
[1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanol has a molecular weight of 391.46 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 23724073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).