(E)-3-fluoro-2-(piperidin-1-ylmethyl)prop-2-en-1-ol

C9H16FNO — CID 176727538

IUPAC(E)-3-fluoro-2-(piperidin-1-ylmethyl)prop-2-en-1-ol
SMILESOC/C(=C/F)CN1CCCCC1
InChIInChI=1S/C9H16FNO/c10-6-9(8-12)7-11-4-2-1-3-5-11/h6,12H,1-5,7-8H2/b9-6+
InChIKeyPZIJLEHVWWIUHF-RMKNXTFCSA-N
MW173.23 g/mol
LogP1.32
Rot. Bonds3

About (E)-3-fluoro-2-(piperidin-1-ylmethyl)prop-2-en-1-ol

(E)-3-fluoro-2-(piperidin-1-ylmethyl)prop-2-en-1-ol (PubChem CID 176727538) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is (E)-3-fluoro-2-(piperidin-1-ylmethyl)prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-fluoro-2-(piperidin-1-ylmethyl)prop-2-en-1-ol
PubChem CID176727538
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name(E)-3-fluoro-2-(piperidin-1-ylmethyl)prop-2-en-1-ol
SMILESOC/C(=C/F)CN1CCCCC1
InChIInChI=1S/C9H16FNO/c10-6-9(8-12)7-11-4-2-1-3-5-11/h6,12H,1-5,7-8H2/b9-6+
InChIKeyPZIJLEHVWWIUHF-RMKNXTFCSA-N
XLogP1.32
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-3-fluoro-2-(piperidin-1-ylmethyl)prop-2-en-1-ol?
The IUPAC name of (E)-3-fluoro-2-(piperidin-1-ylmethyl)prop-2-en-1-ol (CID 176727538) is (E)-3-fluoro-2-(piperidin-1-ylmethyl)prop-2-en-1-ol.
What is the SMILES notation for (E)-3-fluoro-2-(piperidin-1-ylmethyl)prop-2-en-1-ol?
The canonical SMILES for (E)-3-fluoro-2-(piperidin-1-ylmethyl)prop-2-en-1-ol is OC/C(=C/F)CN1CCCCC1.
What is the InChIKey of (E)-3-fluoro-2-(piperidin-1-ylmethyl)prop-2-en-1-ol?
The InChIKey is PZIJLEHVWWIUHF-RMKNXTFCSA-N. The full InChI is InChI=1S/C9H16FNO/c10-6-9(8-12)7-11-4-2-1-3-5-11/h6,12H,1-5,7-8H2/b9-6+.
What are the key properties of (E)-3-fluoro-2-(piperidin-1-ylmethyl)prop-2-en-1-ol?
(E)-3-fluoro-2-(piperidin-1-ylmethyl)prop-2-en-1-ol has a molecular weight of 173.23 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-fluoro-2-(piperidin-1-ylmethyl)prop-2-en-1-ol is sourced from PubChem (CID 176727538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).