3-[4-(4-fluorophenyl)piperidin-1-yl]prop-1-yn-1-ol

C14H16FNO — CID 139779953

IUPAC3-[4-(4-fluorophenyl)piperidin-1-yl]prop-1-yn-1-ol
SMILESOC#CCN1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C14H16FNO/c15-14-4-2-12(3-5-14)13-6-9-16(10-7-13)8-1-11-17/h2-5,13,17H,6-10H2
InChIKeyADVMIPGHGJRBSR-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.34
Rot. Bonds2

About 3-[4-(4-fluorophenyl)piperidin-1-yl]prop-1-yn-1-ol

3-[4-(4-fluorophenyl)piperidin-1-yl]prop-1-yn-1-ol (PubChem CID 139779953) has the molecular formula C14H16FNO and a molecular weight of 233.29 g/mol. Its IUPAC name is 3-[4-(4-fluorophenyl)piperidin-1-yl]prop-1-yn-1-ol.

Molecular Properties

Compound Name3-[4-(4-fluorophenyl)piperidin-1-yl]prop-1-yn-1-ol
PubChem CID139779953
Molecular FormulaC14H16FNO
Molecular Weight233.29 g/mol
Exact Mass233.12
IUPAC Name3-[4-(4-fluorophenyl)piperidin-1-yl]prop-1-yn-1-ol
SMILESOC#CCN1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C14H16FNO/c15-14-4-2-12(3-5-14)13-6-9-16(10-7-13)8-1-11-17/h2-5,13,17H,6-10H2
InChIKeyADVMIPGHGJRBSR-UHFFFAOYSA-N
XLogP2.34
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.34
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-[4-(4-fluorophenyl)piperidin-1-yl]prop-1-yn-1-ol?
The IUPAC name of 3-[4-(4-fluorophenyl)piperidin-1-yl]prop-1-yn-1-ol (CID 139779953) is 3-[4-(4-fluorophenyl)piperidin-1-yl]prop-1-yn-1-ol.
What is the SMILES notation for 3-[4-(4-fluorophenyl)piperidin-1-yl]prop-1-yn-1-ol?
The canonical SMILES for 3-[4-(4-fluorophenyl)piperidin-1-yl]prop-1-yn-1-ol is OC#CCN1CCC(c2ccc(F)cc2)CC1.
What is the InChIKey of 3-[4-(4-fluorophenyl)piperidin-1-yl]prop-1-yn-1-ol?
The InChIKey is ADVMIPGHGJRBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO/c15-14-4-2-12(3-5-14)13-6-9-16(10-7-13)8-1-11-17/h2-5,13,17H,6-10H2.
What are the key properties of 3-[4-(4-fluorophenyl)piperidin-1-yl]prop-1-yn-1-ol?
3-[4-(4-fluorophenyl)piperidin-1-yl]prop-1-yn-1-ol has a molecular weight of 233.29 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorophenyl)piperidin-1-yl]prop-1-yn-1-ol is sourced from PubChem (CID 139779953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).