(3-fluoro-1-prop-2-ynylpiperidin-3-yl)methanol

C9H14FNO — CID 126996469

IUPAC(3-fluoro-1-prop-2-ynylpiperidin-3-yl)methanol
SMILESC#CCN1CCCC(F)(CO)C1
InChIInChI=1S/C9H14FNO/c1-2-5-11-6-3-4-9(10,7-11)8-12/h1,12H,3-8H2
InChIKeyKXDXHOGJGGGQLR-UHFFFAOYSA-N
MW171.21 g/mol
LogP0.42
Rot. Bonds2

About (3-fluoro-1-prop-2-ynylpiperidin-3-yl)methanol

(3-fluoro-1-prop-2-ynylpiperidin-3-yl)methanol (PubChem CID 126996469) has the molecular formula C9H14FNO and a molecular weight of 171.21 g/mol. Its IUPAC name is (3-fluoro-1-prop-2-ynylpiperidin-3-yl)methanol.

Molecular Properties

Compound Name(3-fluoro-1-prop-2-ynylpiperidin-3-yl)methanol
PubChem CID126996469
Molecular FormulaC9H14FNO
Molecular Weight171.21 g/mol
Exact Mass171.11
IUPAC Name(3-fluoro-1-prop-2-ynylpiperidin-3-yl)methanol
SMILESC#CCN1CCCC(F)(CO)C1
InChIInChI=1S/C9H14FNO/c1-2-5-11-6-3-4-9(10,7-11)8-12/h1,12H,3-8H2
InChIKeyKXDXHOGJGGGQLR-UHFFFAOYSA-N
XLogP0.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.21
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-1-prop-2-ynylpiperidin-3-yl)methanol?
The IUPAC name of (3-fluoro-1-prop-2-ynylpiperidin-3-yl)methanol (CID 126996469) is (3-fluoro-1-prop-2-ynylpiperidin-3-yl)methanol.
What is the SMILES notation for (3-fluoro-1-prop-2-ynylpiperidin-3-yl)methanol?
The canonical SMILES for (3-fluoro-1-prop-2-ynylpiperidin-3-yl)methanol is C#CCN1CCCC(F)(CO)C1.
What is the InChIKey of (3-fluoro-1-prop-2-ynylpiperidin-3-yl)methanol?
The InChIKey is KXDXHOGJGGGQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO/c1-2-5-11-6-3-4-9(10,7-11)8-12/h1,12H,3-8H2.
What are the key properties of (3-fluoro-1-prop-2-ynylpiperidin-3-yl)methanol?
(3-fluoro-1-prop-2-ynylpiperidin-3-yl)methanol has a molecular weight of 171.21 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-1-prop-2-ynylpiperidin-3-yl)methanol is sourced from PubChem (CID 126996469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).