1-[(4-fluorophenyl)methyl]-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol

C17H25FN2O — CID 156602371

IUPAC1-[(4-fluorophenyl)methyl]-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol
SMILESCC1(O)CCN(Cc2ccc(F)cc2)CC1N1CCCC1
InChIInChI=1S/C17H25FN2O/c1-17(21)8-11-19(12-14-4-6-15(18)7-5-14)13-16(17)20-9-2-3-10-20/h4-7,16,21H,2-3,8-13H2,1H3
InChIKeyFCSYZGIOXHDDKG-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.25
Rot. Bonds3

About 1-[(4-fluorophenyl)methyl]-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol

1-[(4-fluorophenyl)methyl]-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol (PubChem CID 156602371) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol
PubChem CID156602371
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name1-[(4-fluorophenyl)methyl]-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol
SMILESCC1(O)CCN(Cc2ccc(F)cc2)CC1N1CCCC1
InChIInChI=1S/C17H25FN2O/c1-17(21)8-11-19(12-14-4-6-15(18)7-5-14)13-16(17)20-9-2-3-10-20/h4-7,16,21H,2-3,8-13H2,1H3
InChIKeyFCSYZGIOXHDDKG-UHFFFAOYSA-N
XLogP2.25
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol (CID 156602371) is 1-[(4-fluorophenyl)methyl]-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol is CC1(O)CCN(Cc2ccc(F)cc2)CC1N1CCCC1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol?
The InChIKey is FCSYZGIOXHDDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-17(21)8-11-19(12-14-4-6-15(18)7-5-14)13-16(17)20-9-2-3-10-20/h4-7,16,21H,2-3,8-13H2,1H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol?
1-[(4-fluorophenyl)methyl]-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol has a molecular weight of 292.40 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol is sourced from PubChem (CID 156602371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).