(2Z)-2-but-3-en-2-ylidene-3-fluoro-1-methylpiperidine

C10H16FN — CID 154673409

IUPAC(2Z)-2-but-3-en-2-ylidene-3-fluoro-1-methylpiperidine
SMILESC=C/C(C)=C1/C(F)CCCN1C
InChIInChI=1S/C10H16FN/c1-4-8(2)10-9(11)6-5-7-12(10)3/h4,9H,1,5-7H2,2-3H3/b10-8-
InChIKeyCKDSTMQNJNLDCW-NTMALXAHSA-N
MW169.24 g/mol
LogP2.51
Rot. Bonds1

About (2Z)-2-but-3-en-2-ylidene-3-fluoro-1-methylpiperidine

(2Z)-2-but-3-en-2-ylidene-3-fluoro-1-methylpiperidine (PubChem CID 154673409) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is (2Z)-2-but-3-en-2-ylidene-3-fluoro-1-methylpiperidine.

Molecular Properties

Compound Name(2Z)-2-but-3-en-2-ylidene-3-fluoro-1-methylpiperidine
PubChem CID154673409
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name(2Z)-2-but-3-en-2-ylidene-3-fluoro-1-methylpiperidine
SMILESC=C/C(C)=C1/C(F)CCCN1C
InChIInChI=1S/C10H16FN/c1-4-8(2)10-9(11)6-5-7-12(10)3/h4,9H,1,5-7H2,2-3H3/b10-8-
InChIKeyCKDSTMQNJNLDCW-NTMALXAHSA-N
XLogP2.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1-Cyclopenta-2,4-dien-1-ylidenepropyl)piperidine
CID 134982821
4-Fluoro-1-methyl-2-propan-2-ylidenepiperidine
CID 89209697
1-[(4E,6Z,8E)-6-methyl-8-(trifluoromethyl)deca-4,6,8-trienyl]piperidine
CID 89355344
10-Ethyl-4-fluoro-7-methyl-2,3,6,7,8,9-hexahydropyrido[1,2-a]indole
CID 90910284
1-[5-(Trifluoromethyl)hexa-1,3,5-trien-2-yl]piperidine
CID 91262904
1-(3-Fluoro-2-propan-2-ylidenehex-3-enyl)piperidine
CID 123561041
5-Fluoro-1-(3-methylbut-2-en-2-yl)-2-methylidene-3-propylpyridine
CID 129083998
1-[(4E,6Z,8E)-9-fluoro-4-methylnona-4,6,8-trienyl]piperidine
CID 130243379
3-fluoro-1-methyl-3-[(1E)-penta-1,3,4-trienyl]piperidine
CID 132004053
4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]-1-methylpiperidine
CID 134365665
4-[(2Z,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-1-methylpiperidine
CID 134365676
4-[(3Z)-5-fluoroocta-1,3-dien-2-yl]-1-methylpiperidine
CID 134365702

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-but-3-en-2-ylidene-3-fluoro-1-methylpiperidine?
The IUPAC name of (2Z)-2-but-3-en-2-ylidene-3-fluoro-1-methylpiperidine (CID 154673409) is (2Z)-2-but-3-en-2-ylidene-3-fluoro-1-methylpiperidine.
What is the SMILES notation for (2Z)-2-but-3-en-2-ylidene-3-fluoro-1-methylpiperidine?
The canonical SMILES for (2Z)-2-but-3-en-2-ylidene-3-fluoro-1-methylpiperidine is C=C/C(C)=C1/C(F)CCCN1C.
What is the InChIKey of (2Z)-2-but-3-en-2-ylidene-3-fluoro-1-methylpiperidine?
The InChIKey is CKDSTMQNJNLDCW-NTMALXAHSA-N. The full InChI is InChI=1S/C10H16FN/c1-4-8(2)10-9(11)6-5-7-12(10)3/h4,9H,1,5-7H2,2-3H3/b10-8-.
What are the key properties of (2Z)-2-but-3-en-2-ylidene-3-fluoro-1-methylpiperidine?
(2Z)-2-but-3-en-2-ylidene-3-fluoro-1-methylpiperidine has a molecular weight of 169.24 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-but-3-en-2-ylidene-3-fluoro-1-methylpiperidine is sourced from PubChem (CID 154673409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).