1-[(2,5-difluorophenyl)methyl]-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol

C17H24F2N2O — CID 156602374

IUPAC1-[(2,5-difluorophenyl)methyl]-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol
SMILESCC1(O)CCN(Cc2cc(F)ccc2F)CC1N1CCCC1
InChIInChI=1S/C17H24F2N2O/c1-17(22)6-9-20(12-16(17)21-7-2-3-8-21)11-13-10-14(18)4-5-15(13)19/h4-5,10,16,22H,2-3,6-9,11-12H2,1H3
InChIKeyGGSTUGMXFAMBIV-UHFFFAOYSA-N
MW310.39 g/mol
LogP2.39
Rot. Bonds3

About 1-[(2,5-difluorophenyl)methyl]-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol

1-[(2,5-difluorophenyl)methyl]-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol (PubChem CID 156602374) has the molecular formula C17H24F2N2O and a molecular weight of 310.39 g/mol. Its IUPAC name is 1-[(2,5-difluorophenyl)methyl]-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol.

Molecular Properties

Compound Name1-[(2,5-difluorophenyl)methyl]-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol
PubChem CID156602374
Molecular FormulaC17H24F2N2O
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Name1-[(2,5-difluorophenyl)methyl]-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol
SMILESCC1(O)CCN(Cc2cc(F)ccc2F)CC1N1CCCC1
InChIInChI=1S/C17H24F2N2O/c1-17(22)6-9-20(12-16(17)21-7-2-3-8-21)11-13-10-14(18)4-5-15(13)19/h4-5,10,16,22H,2-3,6-9,11-12H2,1H3
InChIKeyGGSTUGMXFAMBIV-UHFFFAOYSA-N
XLogP2.39
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-difluorophenyl)methyl]-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol?
The IUPAC name of 1-[(2,5-difluorophenyl)methyl]-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol (CID 156602374) is 1-[(2,5-difluorophenyl)methyl]-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol.
What is the SMILES notation for 1-[(2,5-difluorophenyl)methyl]-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol?
The canonical SMILES for 1-[(2,5-difluorophenyl)methyl]-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol is CC1(O)CCN(Cc2cc(F)ccc2F)CC1N1CCCC1.
What is the InChIKey of 1-[(2,5-difluorophenyl)methyl]-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol?
The InChIKey is GGSTUGMXFAMBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2O/c1-17(22)6-9-20(12-16(17)21-7-2-3-8-21)11-13-10-14(18)4-5-15(13)19/h4-5,10,16,22H,2-3,6-9,11-12H2,1H3.
What are the key properties of 1-[(2,5-difluorophenyl)methyl]-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol?
1-[(2,5-difluorophenyl)methyl]-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol has a molecular weight of 310.39 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-difluorophenyl)methyl]-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol is sourced from PubChem (CID 156602374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).