[3-fluoro-1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanol

C11H21FN2O — CID 120858331

IUPAC[3-fluoro-1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanol
SMILESOCC1(F)CCN(CC2CCNCC2)C1
InChIInChI=1S/C11H21FN2O/c12-11(9-15)3-6-14(8-11)7-10-1-4-13-5-2-10/h10,13,15H,1-9H2
InChIKeyQMHAUPJGRBOEFF-UHFFFAOYSA-N
MW216.30 g/mol
LogP0.39
Rot. Bonds3

About [3-fluoro-1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanol

[3-fluoro-1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanol (PubChem CID 120858331) has the molecular formula C11H21FN2O and a molecular weight of 216.30 g/mol. Its IUPAC name is [3-fluoro-1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[3-fluoro-1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanol
PubChem CID120858331
Molecular FormulaC11H21FN2O
Molecular Weight216.30 g/mol
Exact Mass216.16
IUPAC Name[3-fluoro-1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanol
SMILESOCC1(F)CCN(CC2CCNCC2)C1
InChIInChI=1S/C11H21FN2O/c12-11(9-15)3-6-14(8-11)7-10-1-4-13-5-2-10/h10,13,15H,1-9H2
InChIKeyQMHAUPJGRBOEFF-UHFFFAOYSA-N
XLogP0.39
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.30
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-fluoro-1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [3-fluoro-1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanol (CID 120858331) is [3-fluoro-1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [3-fluoro-1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [3-fluoro-1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanol is OCC1(F)CCN(CC2CCNCC2)C1.
What is the InChIKey of [3-fluoro-1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanol?
The InChIKey is QMHAUPJGRBOEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FN2O/c12-11(9-15)3-6-14(8-11)7-10-1-4-13-5-2-10/h10,13,15H,1-9H2.
What are the key properties of [3-fluoro-1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanol?
[3-fluoro-1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanol has a molecular weight of 216.30 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 120858331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).