4-(difluoromethyl)-1-(3-methylcyclohexa-1,5-dien-1-yl)piperidine

C13H19F2N — CID 147107152

IUPAC4-(difluoromethyl)-1-(3-methylcyclohexa-1,5-dien-1-yl)piperidine
SMILESCC1C=C(N2CCC(C(F)F)CC2)C=CC1
InChIInChI=1S/C13H19F2N/c1-10-3-2-4-12(9-10)16-7-5-11(6-8-16)13(14)15/h2,4,9-11,13H,3,5-8H2,1H3
InChIKeyBLUGNNULIGGZLR-UHFFFAOYSA-N
MW227.30 g/mol
LogP3.44
Rot. Bonds2

About 4-(difluoromethyl)-1-(3-methylcyclohexa-1,5-dien-1-yl)piperidine

4-(difluoromethyl)-1-(3-methylcyclohexa-1,5-dien-1-yl)piperidine (PubChem CID 147107152) has the molecular formula C13H19F2N and a molecular weight of 227.30 g/mol. Its IUPAC name is 4-(difluoromethyl)-1-(3-methylcyclohexa-1,5-dien-1-yl)piperidine.

Molecular Properties

Compound Name4-(difluoromethyl)-1-(3-methylcyclohexa-1,5-dien-1-yl)piperidine
PubChem CID147107152
Molecular FormulaC13H19F2N
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name4-(difluoromethyl)-1-(3-methylcyclohexa-1,5-dien-1-yl)piperidine
SMILESCC1C=C(N2CCC(C(F)F)CC2)C=CC1
InChIInChI=1S/C13H19F2N/c1-10-3-2-4-12(9-10)16-7-5-11(6-8-16)13(14)15/h2,4,9-11,13H,3,5-8H2,1H3
InChIKeyBLUGNNULIGGZLR-UHFFFAOYSA-N
XLogP3.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-allyltetrahydroquinoline
CID 69120580
N-butyltetrahydroquinoline
CID 70628816
1-[(2,6-Difluorocyclohexa-2,4-dien-1-yl)methyl]piperidine
CID 66807098
8-(trifluoromethyl)-2,3,4,6-tetrahydro-1H-quinolizine
CID 67020339
1-[2-(4-Fluorocyclohexa-1,5-dien-1-yl)ethyl]-4-methylpiperidine
CID 70819928
1-[5-(Trifluoromethyl)hexa-1,3,5-trien-2-yl]piperidine
CID 91262904
2-Methyl-6-methylidene-3-(2,3,5-trifluorocyclohexa-2,4-dien-1-yl)-1-(2,2,2-trifluoroethyl)piperidine
CID 123456523
1-Buta-1,3-dien-2-yl-4-(6-fluorohexa-3,5-dienyl)piperidine
CID 123697465
6-(2,4-difluoro-6-pent-2-enylcyclohexa-1,3-dien-1-yl)-1-pent-2-enyl-2H-pyridine
CID 129156390
4-(4-Fluorocyclohexa-1,5-dien-1-yl)-1-methylpiperidine
CID 134365678
4-[(2Z,4E)-4-fluorohexa-2,4-dienyl]-1-methylpiperidine
CID 134365823
4-Fluoro-1-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)piperidine
CID 134376304

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-1-(3-methylcyclohexa-1,5-dien-1-yl)piperidine?
The IUPAC name of 4-(difluoromethyl)-1-(3-methylcyclohexa-1,5-dien-1-yl)piperidine (CID 147107152) is 4-(difluoromethyl)-1-(3-methylcyclohexa-1,5-dien-1-yl)piperidine.
What is the SMILES notation for 4-(difluoromethyl)-1-(3-methylcyclohexa-1,5-dien-1-yl)piperidine?
The canonical SMILES for 4-(difluoromethyl)-1-(3-methylcyclohexa-1,5-dien-1-yl)piperidine is CC1C=C(N2CCC(C(F)F)CC2)C=CC1.
What is the InChIKey of 4-(difluoromethyl)-1-(3-methylcyclohexa-1,5-dien-1-yl)piperidine?
The InChIKey is BLUGNNULIGGZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N/c1-10-3-2-4-12(9-10)16-7-5-11(6-8-16)13(14)15/h2,4,9-11,13H,3,5-8H2,1H3.
What are the key properties of 4-(difluoromethyl)-1-(3-methylcyclohexa-1,5-dien-1-yl)piperidine?
4-(difluoromethyl)-1-(3-methylcyclohexa-1,5-dien-1-yl)piperidine has a molecular weight of 227.30 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-1-(3-methylcyclohexa-1,5-dien-1-yl)piperidine is sourced from PubChem (CID 147107152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).