2-[1-[(E)-3-fluoropent-3-en-2-yl]piperidin-4-yl]acetonitrile

C12H19FN2 — CID 142851341

IUPAC2-[1-[(E)-3-fluoropent-3-en-2-yl]piperidin-4-yl]acetonitrile
SMILESC/C=C(/F)C(C)N1CCC(CC#N)CC1
InChIInChI=1S/C12H19FN2/c1-3-12(13)10(2)15-8-5-11(4-7-14)6-9-15/h3,10-11H,4-6,8-9H2,1-2H3/b12-3+
InChIKeyLBTHPAAHUILFST-KGVSQERTSA-N
MW210.30 g/mol
LogP2.87
Rot. Bonds3

About 2-[1-[(E)-3-fluoropent-3-en-2-yl]piperidin-4-yl]acetonitrile

2-[1-[(E)-3-fluoropent-3-en-2-yl]piperidin-4-yl]acetonitrile (PubChem CID 142851341) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is 2-[1-[(E)-3-fluoropent-3-en-2-yl]piperidin-4-yl]acetonitrile.

Molecular Properties

Compound Name2-[1-[(E)-3-fluoropent-3-en-2-yl]piperidin-4-yl]acetonitrile
PubChem CID142851341
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Name2-[1-[(E)-3-fluoropent-3-en-2-yl]piperidin-4-yl]acetonitrile
SMILESC/C=C(/F)C(C)N1CCC(CC#N)CC1
InChIInChI=1S/C12H19FN2/c1-3-12(13)10(2)15-8-5-11(4-7-14)6-9-15/h3,10-11H,4-6,8-9H2,1-2H3/b12-3+
InChIKeyLBTHPAAHUILFST-KGVSQERTSA-N
XLogP2.87
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(E)-3-fluoropent-3-en-2-yl]piperidin-4-yl]acetonitrile?
The IUPAC name of 2-[1-[(E)-3-fluoropent-3-en-2-yl]piperidin-4-yl]acetonitrile (CID 142851341) is 2-[1-[(E)-3-fluoropent-3-en-2-yl]piperidin-4-yl]acetonitrile.
What is the SMILES notation for 2-[1-[(E)-3-fluoropent-3-en-2-yl]piperidin-4-yl]acetonitrile?
The canonical SMILES for 2-[1-[(E)-3-fluoropent-3-en-2-yl]piperidin-4-yl]acetonitrile is C/C=C(/F)C(C)N1CCC(CC#N)CC1.
What is the InChIKey of 2-[1-[(E)-3-fluoropent-3-en-2-yl]piperidin-4-yl]acetonitrile?
The InChIKey is LBTHPAAHUILFST-KGVSQERTSA-N. The full InChI is InChI=1S/C12H19FN2/c1-3-12(13)10(2)15-8-5-11(4-7-14)6-9-15/h3,10-11H,4-6,8-9H2,1-2H3/b12-3+.
What are the key properties of 2-[1-[(E)-3-fluoropent-3-en-2-yl]piperidin-4-yl]acetonitrile?
2-[1-[(E)-3-fluoropent-3-en-2-yl]piperidin-4-yl]acetonitrile has a molecular weight of 210.30 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(E)-3-fluoropent-3-en-2-yl]piperidin-4-yl]acetonitrile is sourced from PubChem (CID 142851341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).