(1-butyl-3-fluoropiperidin-3-yl)methanol

C10H20FNO — CID 172806279

IUPAC(1-butyl-3-fluoropiperidin-3-yl)methanol
SMILESCCCCN1CCCC(F)(CO)C1
InChIInChI=1S/C10H20FNO/c1-2-3-6-12-7-4-5-10(11,8-12)9-13/h13H,2-9H2,1H3
InChIKeyROBSAMRVEPWOQH-UHFFFAOYSA-N
MW189.27 g/mol
LogP1.58
Rot. Bonds4

About (1-butyl-3-fluoropiperidin-3-yl)methanol

(1-butyl-3-fluoropiperidin-3-yl)methanol (PubChem CID 172806279) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is (1-butyl-3-fluoropiperidin-3-yl)methanol.

Molecular Properties

Compound Name(1-butyl-3-fluoropiperidin-3-yl)methanol
PubChem CID172806279
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Name(1-butyl-3-fluoropiperidin-3-yl)methanol
SMILESCCCCN1CCCC(F)(CO)C1
InChIInChI=1S/C10H20FNO/c1-2-3-6-12-7-4-5-10(11,8-12)9-13/h13H,2-9H2,1H3
InChIKeyROBSAMRVEPWOQH-UHFFFAOYSA-N
XLogP1.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-butyl-3-fluoropiperidin-3-yl)methanol?
The IUPAC name of (1-butyl-3-fluoropiperidin-3-yl)methanol (CID 172806279) is (1-butyl-3-fluoropiperidin-3-yl)methanol.
What is the SMILES notation for (1-butyl-3-fluoropiperidin-3-yl)methanol?
The canonical SMILES for (1-butyl-3-fluoropiperidin-3-yl)methanol is CCCCN1CCCC(F)(CO)C1.
What is the InChIKey of (1-butyl-3-fluoropiperidin-3-yl)methanol?
The InChIKey is ROBSAMRVEPWOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO/c1-2-3-6-12-7-4-5-10(11,8-12)9-13/h13H,2-9H2,1H3.
What are the key properties of (1-butyl-3-fluoropiperidin-3-yl)methanol?
(1-butyl-3-fluoropiperidin-3-yl)methanol has a molecular weight of 189.27 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butyl-3-fluoropiperidin-3-yl)methanol is sourced from PubChem (CID 172806279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).