3-(4,4-difluoropiperidin-3-yl)-4-methylhex-3-en-2-imine

C12H20F2N2 — CID 178160345

IUPAC3-(4,4-difluoropiperidin-3-yl)-4-methylhex-3-en-2-imine
SMILES[H]/N=C(\C)C(=C(C)CC)C1CNCCC1(F)F
InChIInChI=1S/C12H20F2N2/c1-4-8(2)11(9(3)15)10-7-16-6-5-12(10,13)14/h10,15-16H,4-7H2,1-3H3/b11-8?,15-9+
InChIKeySMOQNIGVCVRCLX-JWCIJZKPSA-N
MW230.30 g/mol
LogP3.00
Rot. Bonds3

About 3-(4,4-difluoropiperidin-3-yl)-4-methylhex-3-en-2-imine

3-(4,4-difluoropiperidin-3-yl)-4-methylhex-3-en-2-imine (PubChem CID 178160345) has the molecular formula C12H20F2N2 and a molecular weight of 230.30 g/mol. Its IUPAC name is 3-(4,4-difluoropiperidin-3-yl)-4-methylhex-3-en-2-imine.

Molecular Properties

Compound Name3-(4,4-difluoropiperidin-3-yl)-4-methylhex-3-en-2-imine
PubChem CID178160345
Molecular FormulaC12H20F2N2
Molecular Weight230.30 g/mol
Exact Mass230.16
IUPAC Name3-(4,4-difluoropiperidin-3-yl)-4-methylhex-3-en-2-imine
SMILES[H]/N=C(\C)C(=C(C)CC)C1CNCCC1(F)F
InChIInChI=1S/C12H20F2N2/c1-4-8(2)11(9(3)15)10-7-16-6-5-12(10,13)14/h10,15-16H,4-7H2,1-3H3/b11-8?,15-9+
InChIKeySMOQNIGVCVRCLX-JWCIJZKPSA-N
XLogP3.00
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 53.00
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

N-methyl-4-(piperazin-1-ylmethyl)-5-(trifluoromethyl)cyclohex-3-en-1-imine
CID 123791907
1,1,1-Trifluoro-4-methyl-5-piperidin-2-ylhex-3-en-2-imine
CID 123932115
(4,6-Difluorocyclohexa-1,3-dien-1-yl)-piperidin-4-ylmethanimine
CID 142867709
1,1,1-Trifluoro-3-(methyliminomethyl)-4-piperidin-4-ylbut-2-en-2-amine
CID 174047164
4-(4,5-dimethyl-3H-pyrrol-2-yl)piperidine
CID 58578279
(E)-4-piperidin-3-ylpent-3-en-2-imine
CID 123503371
4-(3-Methylhexan-2-ylidene)piperidin-3-imine
CID 123972348
(Z)-4-imino-3-piperidin-3-ylpent-2-en-2-amine
CID 139358573
3-ethyl-5-methyl-3,4,6,7,8,9-hexahydro-2H-pyrido[4,3-b]azepine
CID 166830865
3-Ethyl-4-methyl-1-piperidin-4-ylpent-3-en-1-imine
CID 166963475
2-Ethyl-4,6-dimethyl-5-piperidin-4-yl-2,3-dihydropyridine
CID 142245617

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-difluoropiperidin-3-yl)-4-methylhex-3-en-2-imine?
The IUPAC name of 3-(4,4-difluoropiperidin-3-yl)-4-methylhex-3-en-2-imine (CID 178160345) is 3-(4,4-difluoropiperidin-3-yl)-4-methylhex-3-en-2-imine.
What is the SMILES notation for 3-(4,4-difluoropiperidin-3-yl)-4-methylhex-3-en-2-imine?
The canonical SMILES for 3-(4,4-difluoropiperidin-3-yl)-4-methylhex-3-en-2-imine is [H]/N=C(\C)C(=C(C)CC)C1CNCCC1(F)F.
What is the InChIKey of 3-(4,4-difluoropiperidin-3-yl)-4-methylhex-3-en-2-imine?
The InChIKey is SMOQNIGVCVRCLX-JWCIJZKPSA-N. The full InChI is InChI=1S/C12H20F2N2/c1-4-8(2)11(9(3)15)10-7-16-6-5-12(10,13)14/h10,15-16H,4-7H2,1-3H3/b11-8?,15-9+.
What are the key properties of 3-(4,4-difluoropiperidin-3-yl)-4-methylhex-3-en-2-imine?
3-(4,4-difluoropiperidin-3-yl)-4-methylhex-3-en-2-imine has a molecular weight of 230.30 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-difluoropiperidin-3-yl)-4-methylhex-3-en-2-imine is sourced from PubChem (CID 178160345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).