(4,6-difluorocyclohexa-1,3-dien-1-yl)-piperidin-4-ylmethanimine

C12H16F2N2 — CID 142867709

IUPAC(4,6-difluorocyclohexa-1,3-dien-1-yl)-piperidin-4-ylmethanimine
SMILES[H]/N=C(/C1=CC=C(F)CC1F)C1CCNCC1
InChIInChI=1S/C12H16F2N2/c13-9-1-2-10(11(14)7-9)12(15)8-3-5-16-6-4-8/h1-2,8,11,15-16H,3-7H2/b15-12+
InChIKeyCEEKILIIXGMJQW-NTCAYCPXSA-N
MW226.27 g/mol
LogP2.53
Rot. Bonds2

About (4,6-difluorocyclohexa-1,3-dien-1-yl)-piperidin-4-ylmethanimine

(4,6-difluorocyclohexa-1,3-dien-1-yl)-piperidin-4-ylmethanimine (PubChem CID 142867709) has the molecular formula C12H16F2N2 and a molecular weight of 226.27 g/mol. Its IUPAC name is (4,6-difluorocyclohexa-1,3-dien-1-yl)-piperidin-4-ylmethanimine.

Molecular Properties

Compound Name(4,6-difluorocyclohexa-1,3-dien-1-yl)-piperidin-4-ylmethanimine
PubChem CID142867709
Molecular FormulaC12H16F2N2
Molecular Weight226.27 g/mol
Exact Mass226.13
IUPAC Name(4,6-difluorocyclohexa-1,3-dien-1-yl)-piperidin-4-ylmethanimine
SMILES[H]/N=C(/C1=CC=C(F)CC1F)C1CCNCC1
InChIInChI=1S/C12H16F2N2/c13-9-1-2-10(11(14)7-9)12(15)8-3-5-16-6-4-8/h1-2,8,11,15-16H,3-7H2/b15-12+
InChIKeyCEEKILIIXGMJQW-NTCAYCPXSA-N
XLogP2.53
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine
CID 68112155
2-(2,6-difluorocyclohexa-1,3-dien-1-yl)-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine
CID 123527109
2-(2,6-difluorocyclohexa-1,3-dien-1-yl)-3a,4,5,6,7,7a-hexahydro-3H-pyrrolo[3,2-c]pyridine
CID 123653362
1,1,1-Trifluoro-4-methyl-5-piperidin-2-ylhex-3-en-2-imine
CID 123932115
3-(3-fluorocyclohexa-2,4-dien-1-yl)-N-piperidin-4-yl-7-azabicyclo[4.2.0]octa-2,6-dien-5-amine
CID 163893228
3-[2-[6-(Trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethyl]piperidine
CID 166104421
4-(2-piperidin-4-ylethyl)-7-(trifluoromethyl)-3,4-dihydro-2H-azepine
CID 169691681
4-[[2-Fluoro-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]piperidine
CID 170068720
(NZ)-N-[(4,6-difluorocyclohexen-1-yl)-piperidin-4-ylmethylidene]hydroxylamine
CID 172919945
(8R)-8-fluoro-11-methyl-2,3,4,4a,5,7,8,11a-octahydro-1H-pyrido[3,4-b][1]benzazepin-6-imine
CID 173911322
(3aR)-6-fluoro-3-piperidin-4-yl-3aH-indazole
CID 124271931
(3aS)-6-fluoro-3-piperidin-4-yl-3aH-indazole
CID 124271932

Frequently Asked Questions

What is the IUPAC name of (4,6-difluorocyclohexa-1,3-dien-1-yl)-piperidin-4-ylmethanimine?
The IUPAC name of (4,6-difluorocyclohexa-1,3-dien-1-yl)-piperidin-4-ylmethanimine (CID 142867709) is (4,6-difluorocyclohexa-1,3-dien-1-yl)-piperidin-4-ylmethanimine.
What is the SMILES notation for (4,6-difluorocyclohexa-1,3-dien-1-yl)-piperidin-4-ylmethanimine?
The canonical SMILES for (4,6-difluorocyclohexa-1,3-dien-1-yl)-piperidin-4-ylmethanimine is [H]/N=C(/C1=CC=C(F)CC1F)C1CCNCC1.
What is the InChIKey of (4,6-difluorocyclohexa-1,3-dien-1-yl)-piperidin-4-ylmethanimine?
The InChIKey is CEEKILIIXGMJQW-NTCAYCPXSA-N. The full InChI is InChI=1S/C12H16F2N2/c13-9-1-2-10(11(14)7-9)12(15)8-3-5-16-6-4-8/h1-2,8,11,15-16H,3-7H2/b15-12+.
What are the key properties of (4,6-difluorocyclohexa-1,3-dien-1-yl)-piperidin-4-ylmethanimine?
(4,6-difluorocyclohexa-1,3-dien-1-yl)-piperidin-4-ylmethanimine has a molecular weight of 226.27 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-difluorocyclohexa-1,3-dien-1-yl)-piperidin-4-ylmethanimine is sourced from PubChem (CID 142867709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).