1-but-2-en-2-yl-4-fluoropiperidine

C9H16FN — CID 91114057

IUPAC1-but-2-en-2-yl-4-fluoropiperidine
SMILESCC=C(C)N1CCC(F)CC1
InChIInChI=1S/C9H16FN/c1-3-8(2)11-6-4-9(10)5-7-11/h3,9H,4-7H2,1-2H3
InChIKeyOOBCTMOGQTYQNO-UHFFFAOYSA-N
MW157.23 g/mol
LogP2.34
Rot. Bonds1

About 1-but-2-en-2-yl-4-fluoropiperidine

1-but-2-en-2-yl-4-fluoropiperidine (PubChem CID 91114057) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is 1-but-2-en-2-yl-4-fluoropiperidine.

Molecular Properties

Compound Name1-but-2-en-2-yl-4-fluoropiperidine
PubChem CID91114057
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name1-but-2-en-2-yl-4-fluoropiperidine
SMILESCC=C(C)N1CCC(F)CC1
InChIInChI=1S/C9H16FN/c1-3-8(2)11-6-4-9(10)5-7-11/h3,9H,4-7H2,1-2H3
InChIKeyOOBCTMOGQTYQNO-UHFFFAOYSA-N
XLogP2.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-but-2-en-2-yl-4-fluoropiperidine?
The IUPAC name of 1-but-2-en-2-yl-4-fluoropiperidine (CID 91114057) is 1-but-2-en-2-yl-4-fluoropiperidine.
What is the SMILES notation for 1-but-2-en-2-yl-4-fluoropiperidine?
The canonical SMILES for 1-but-2-en-2-yl-4-fluoropiperidine is CC=C(C)N1CCC(F)CC1.
What is the InChIKey of 1-but-2-en-2-yl-4-fluoropiperidine?
The InChIKey is OOBCTMOGQTYQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN/c1-3-8(2)11-6-4-9(10)5-7-11/h3,9H,4-7H2,1-2H3.
What are the key properties of 1-but-2-en-2-yl-4-fluoropiperidine?
1-but-2-en-2-yl-4-fluoropiperidine has a molecular weight of 157.23 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-2-en-2-yl-4-fluoropiperidine is sourced from PubChem (CID 91114057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).