3,3-difluoro-4-methyl-1-propan-2-ylpiperidine;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine

C20H38F2N2 — CID 156799121

IUPAC3,3-difluoro-4-methyl-1-propan-2-ylpiperidine;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine
SMILESCC(C)C1=CCN(C(C)C)CC1.CC(C)N1CCC(C)C(F)(F)C1
InChIInChI=1S/C11H21N.C9H17F2N/c1-9(2)11-5-7-12(8-6-11)10(3)4;1-7(2)12-5-4-8(3)9(10,11)6-12/h5,9-10H,6-8H2,1-4H3;7-8H,4-6H2,1-3H3
InChIKeyWZBNSQLDMBGOLS-UHFFFAOYSA-N
MW344.53 g/mol
LogP5.05
Rot. Bonds3

About 3,3-difluoro-4-methyl-1-propan-2-ylpiperidine;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine

3,3-difluoro-4-methyl-1-propan-2-ylpiperidine;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine (PubChem CID 156799121) has the molecular formula C20H38F2N2 and a molecular weight of 344.53 g/mol. Its IUPAC name is 3,3-difluoro-4-methyl-1-propan-2-ylpiperidine;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name3,3-difluoro-4-methyl-1-propan-2-ylpiperidine;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine
PubChem CID156799121
Molecular FormulaC20H38F2N2
Molecular Weight344.53 g/mol
Exact Mass344.30
IUPAC Name3,3-difluoro-4-methyl-1-propan-2-ylpiperidine;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine
SMILESCC(C)C1=CCN(C(C)C)CC1.CC(C)N1CCC(C)C(F)(F)C1
InChIInChI=1S/C11H21N.C9H17F2N/c1-9(2)11-5-7-12(8-6-11)10(3)4;1-7(2)12-5-4-8(3)9(10,11)6-12/h5,9-10H,6-8H2,1-4H3;7-8H,4-6H2,1-3H3
InChIKeyWZBNSQLDMBGOLS-UHFFFAOYSA-N
XLogP5.05
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.53
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,3-difluoro-4-methyl-1-propan-2-ylpiperidine;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine with MolForge

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Launch Full Analysis

Related Compounds

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-1-propan-2-yl-5-(1-propan-2-yl-3,6-dihydro-2H-pyridin-3-yl)piperidine
CID 169145870
3,3-Difluoro-4-(2-methylprop-1-enyl)-1-(1-propan-2-ylpiperidin-4-yl)piperidine
CID 170175583
1-[(E)-5-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)hex-4-en-2-yl]-2,2-difluoro-4-methylpiperidine
CID 173877667
3,3-Difluoro-1,4-di(propan-2-yl)-2,6-dihydropyridine;ethane
CID 177353252
3,3-Difluoro-1,4-di(propan-2-yl)-2,6-dihydropyridine
CID 177353253
1-[(2-methylpiperidin-4-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 106741221
1-[(1S)-5-[(E)-1,1-difluorobut-2-enyl]-3-methylcyclohex-2-en-1-yl]piperidine
CID 162552482
4-ethyl-1-methyl-3,6-dihydro-2H-pyridine;4-ethyl-1-methylpiperidine
CID 91190722
1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperidine;ethane
CID 143558154

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-methyl-1-propan-2-ylpiperidine;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 3,3-difluoro-4-methyl-1-propan-2-ylpiperidine;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine (CID 156799121) is 3,3-difluoro-4-methyl-1-propan-2-ylpiperidine;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 3,3-difluoro-4-methyl-1-propan-2-ylpiperidine;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 3,3-difluoro-4-methyl-1-propan-2-ylpiperidine;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine is CC(C)C1=CCN(C(C)C)CC1.CC(C)N1CCC(C)C(F)(F)C1.
What is the InChIKey of 3,3-difluoro-4-methyl-1-propan-2-ylpiperidine;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine?
The InChIKey is WZBNSQLDMBGOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N.C9H17F2N/c1-9(2)11-5-7-12(8-6-11)10(3)4;1-7(2)12-5-4-8(3)9(10,11)6-12/h5,9-10H,6-8H2,1-4H3;7-8H,4-6H2,1-3H3.
What are the key properties of 3,3-difluoro-4-methyl-1-propan-2-ylpiperidine;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine?
3,3-difluoro-4-methyl-1-propan-2-ylpiperidine;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine has a molecular weight of 344.53 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-methyl-1-propan-2-ylpiperidine;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 156799121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).