[4-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol

C11H21FN2O — CID 123863252

IUPAC[4-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol
SMILESCN1CCC(N2CC(F)CC2CO)CC1
InChIInChI=1S/C11H21FN2O/c1-13-4-2-10(3-5-13)14-7-9(12)6-11(14)8-15/h9-11,15H,2-8H2,1H3
InChIKeyBABIPJLRBBAKEY-UHFFFAOYSA-N
MW216.30 g/mol
LogP0.49
Rot. Bonds2

About [4-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol

[4-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol (PubChem CID 123863252) has the molecular formula C11H21FN2O and a molecular weight of 216.30 g/mol. Its IUPAC name is [4-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[4-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol
PubChem CID123863252
Molecular FormulaC11H21FN2O
Molecular Weight216.30 g/mol
Exact Mass216.16
IUPAC Name[4-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol
SMILESCN1CCC(N2CC(F)CC2CO)CC1
InChIInChI=1S/C11H21FN2O/c1-13-4-2-10(3-5-13)14-7-9(12)6-11(14)8-15/h9-11,15H,2-8H2,1H3
InChIKeyBABIPJLRBBAKEY-UHFFFAOYSA-N
XLogP0.49
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.30
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol?
The IUPAC name of [4-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol (CID 123863252) is [4-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [4-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [4-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol is CN1CCC(N2CC(F)CC2CO)CC1.
What is the InChIKey of [4-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol?
The InChIKey is BABIPJLRBBAKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FN2O/c1-13-4-2-10(3-5-13)14-7-9(12)6-11(14)8-15/h9-11,15H,2-8H2,1H3.
What are the key properties of [4-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol?
[4-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol has a molecular weight of 216.30 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 123863252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).