1-(1,2-difluorocyclohexa-2,4-dien-1-yl)-4,4-dimethylpiperidine

C13H19F2N — CID 151871891

IUPAC1-(1,2-difluorocyclohexa-2,4-dien-1-yl)-4,4-dimethylpiperidine
SMILESCC1(C)CCN(C2(F)CC=CC=C2F)CC1
InChIInChI=1S/C13H19F2N/c1-12(2)7-9-16(10-8-12)13(15)6-4-3-5-11(13)14/h3-5H,6-10H2,1-2H3
InChIKeySMWDAVRUSXFBSM-UHFFFAOYSA-N
MW227.30 g/mol
LogP3.59
Rot. Bonds1

About 1-(1,2-difluorocyclohexa-2,4-dien-1-yl)-4,4-dimethylpiperidine

1-(1,2-difluorocyclohexa-2,4-dien-1-yl)-4,4-dimethylpiperidine (PubChem CID 151871891) has the molecular formula C13H19F2N and a molecular weight of 227.30 g/mol. Its IUPAC name is 1-(1,2-difluorocyclohexa-2,4-dien-1-yl)-4,4-dimethylpiperidine.

Molecular Properties

Compound Name1-(1,2-difluorocyclohexa-2,4-dien-1-yl)-4,4-dimethylpiperidine
PubChem CID151871891
Molecular FormulaC13H19F2N
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name1-(1,2-difluorocyclohexa-2,4-dien-1-yl)-4,4-dimethylpiperidine
SMILESCC1(C)CCN(C2(F)CC=CC=C2F)CC1
InChIInChI=1S/C13H19F2N/c1-12(2)7-9-16(10-8-12)13(15)6-4-3-5-11(13)14/h3-5H,6-10H2,1-2H3
InChIKeySMWDAVRUSXFBSM-UHFFFAOYSA-N
XLogP3.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-difluorocyclohexa-2,4-dien-1-yl)-4,4-dimethylpiperidine?
The IUPAC name of 1-(1,2-difluorocyclohexa-2,4-dien-1-yl)-4,4-dimethylpiperidine (CID 151871891) is 1-(1,2-difluorocyclohexa-2,4-dien-1-yl)-4,4-dimethylpiperidine.
What is the SMILES notation for 1-(1,2-difluorocyclohexa-2,4-dien-1-yl)-4,4-dimethylpiperidine?
The canonical SMILES for 1-(1,2-difluorocyclohexa-2,4-dien-1-yl)-4,4-dimethylpiperidine is CC1(C)CCN(C2(F)CC=CC=C2F)CC1.
What is the InChIKey of 1-(1,2-difluorocyclohexa-2,4-dien-1-yl)-4,4-dimethylpiperidine?
The InChIKey is SMWDAVRUSXFBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N/c1-12(2)7-9-16(10-8-12)13(15)6-4-3-5-11(13)14/h3-5H,6-10H2,1-2H3.
What are the key properties of 1-(1,2-difluorocyclohexa-2,4-dien-1-yl)-4,4-dimethylpiperidine?
1-(1,2-difluorocyclohexa-2,4-dien-1-yl)-4,4-dimethylpiperidine has a molecular weight of 227.30 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-difluorocyclohexa-2,4-dien-1-yl)-4,4-dimethylpiperidine is sourced from PubChem (CID 151871891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).