3,3-difluoro-1-propan-2-yl-5-(1-propan-2-yl-3,6-dihydro-2H-pyridin-3-yl)piperidine

C16H28F2N2 — CID 169145870

IUPAC3,3-difluoro-1-propan-2-yl-5-(1-propan-2-yl-3,6-dihydro-2H-pyridin-3-yl)piperidine
SMILESCC(C)N1CC=CC(C2CN(C(C)C)CC(F)(F)C2)C1
InChIInChI=1S/C16H28F2N2/c1-12(2)19-7-5-6-14(9-19)15-8-16(17,18)11-20(10-15)13(3)4/h5-6,12-15H,7-11H2,1-4H3
InChIKeyRCSHUQQYGUGHJN-UHFFFAOYSA-N
MW286.41 g/mol
LogP3.25
Rot. Bonds3

About 3,3-difluoro-1-propan-2-yl-5-(1-propan-2-yl-3,6-dihydro-2H-pyridin-3-yl)piperidine

3,3-difluoro-1-propan-2-yl-5-(1-propan-2-yl-3,6-dihydro-2H-pyridin-3-yl)piperidine (PubChem CID 169145870) has the molecular formula C16H28F2N2 and a molecular weight of 286.41 g/mol. Its IUPAC name is 3,3-difluoro-1-propan-2-yl-5-(1-propan-2-yl-3,6-dihydro-2H-pyridin-3-yl)piperidine.

Molecular Properties

Compound Name3,3-difluoro-1-propan-2-yl-5-(1-propan-2-yl-3,6-dihydro-2H-pyridin-3-yl)piperidine
PubChem CID169145870
Molecular FormulaC16H28F2N2
Molecular Weight286.41 g/mol
Exact Mass286.22
IUPAC Name3,3-difluoro-1-propan-2-yl-5-(1-propan-2-yl-3,6-dihydro-2H-pyridin-3-yl)piperidine
SMILESCC(C)N1CC=CC(C2CN(C(C)C)CC(F)(F)C2)C1
InChIInChI=1S/C16H28F2N2/c1-12(2)19-7-5-6-14(9-19)15-8-16(17,18)11-20(10-15)13(3)4/h5-6,12-15H,7-11H2,1-4H3
InChIKeyRCSHUQQYGUGHJN-UHFFFAOYSA-N
XLogP3.25
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.41
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,3-difluoro-1-propan-2-yl-5-(1-propan-2-yl-3,6-dihydro-2H-pyridin-3-yl)piperidine with MolForge

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Related Compounds

1-(6-Prop-1-en-2-ylcyclohex-2-en-1-yl)piperidine
CID 12485229
1-(Cyclohex-3-en-1-ylmethyl)-4-(pentan-3-yl)piperazine
CID 3150616
2-ethyl-8-(trifluoromethyl)-3,4,8,8a-tetrahydro-1H-isoquinoline
CID 89514082
1-Methyl-4-[2-(trifluoromethyl)cyclohexa-2,5-dien-1-yl]piperidine
CID 91802982
1-[(E)-5-fluoro-3-methyloct-5-en-4-yl]-N,N-dimethylpiperidin-4-amine
CID 134534586
(2R,4S)-4-(difluoromethyl)-2-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-1-propan-2-ylpiperidine
CID 146693104
3,3-difluoro-4-propan-2-yl-1-[5-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)hexan-2-yl]piperidine
CID 156517873
3,3-difluoro-4-methyl-1-propan-2-ylpiperidine;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine
CID 156799121
1-[2-Ethenyl-5-methyl-5-(trifluoromethyl)cyclohex-2-en-1-yl]-4-prop-2-enylpiperidine
CID 170033278
3,3-Difluoro-4-(2-methylprop-1-enyl)-1-(1-propan-2-ylpiperidin-4-yl)piperidine
CID 170175583
3-Ethyl-1-[[2-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]methyl]piperidine
CID 148203880
N-(1-methylcyclohexa-2,4-dien-1-yl)-4-propan-2-yl-N-(trifluoromethyl)piperidin-1-amine
CID 149952160

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-propan-2-yl-5-(1-propan-2-yl-3,6-dihydro-2H-pyridin-3-yl)piperidine?
The IUPAC name of 3,3-difluoro-1-propan-2-yl-5-(1-propan-2-yl-3,6-dihydro-2H-pyridin-3-yl)piperidine (CID 169145870) is 3,3-difluoro-1-propan-2-yl-5-(1-propan-2-yl-3,6-dihydro-2H-pyridin-3-yl)piperidine.
What is the SMILES notation for 3,3-difluoro-1-propan-2-yl-5-(1-propan-2-yl-3,6-dihydro-2H-pyridin-3-yl)piperidine?
The canonical SMILES for 3,3-difluoro-1-propan-2-yl-5-(1-propan-2-yl-3,6-dihydro-2H-pyridin-3-yl)piperidine is CC(C)N1CC=CC(C2CN(C(C)C)CC(F)(F)C2)C1.
What is the InChIKey of 3,3-difluoro-1-propan-2-yl-5-(1-propan-2-yl-3,6-dihydro-2H-pyridin-3-yl)piperidine?
The InChIKey is RCSHUQQYGUGHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F2N2/c1-12(2)19-7-5-6-14(9-19)15-8-16(17,18)11-20(10-15)13(3)4/h5-6,12-15H,7-11H2,1-4H3.
What are the key properties of 3,3-difluoro-1-propan-2-yl-5-(1-propan-2-yl-3,6-dihydro-2H-pyridin-3-yl)piperidine?
3,3-difluoro-1-propan-2-yl-5-(1-propan-2-yl-3,6-dihydro-2H-pyridin-3-yl)piperidine has a molecular weight of 286.41 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-propan-2-yl-5-(1-propan-2-yl-3,6-dihydro-2H-pyridin-3-yl)piperidine is sourced from PubChem (CID 169145870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).