4,4-difluoro-3-methyl-1-(2-methylpropyl)piperidine;3,5-dimethyl-1-(2-methylpropyl)piperidine;3-methyl-1-(2-methylpropyl)piperidine

C31H63F2N3 — CID 158952630

IUPAC4,4-difluoro-3-methyl-1-(2-methylpropyl)piperidine;3,5-dimethyl-1-(2-methylpropyl)piperidine;3-methyl-1-(2-methylpropyl)piperidine
SMILESCC(C)CN1CC(C)CC(C)C1.CC(C)CN1CCC(F)(F)C(C)C1.CC(C)CN1CCCC(C)C1
InChIInChI=1S/C11H23N.C10H19F2N.C10H21N/c1-9(2)6-12-7-10(3)5-11(4)8-12;1-8(2)6-13-5-4-10(11,12)9(3)7-13;1-9(2)7-11-6-4-5-10(3)8-11/h9-11H,5-8H2,1-4H3;8-9H,4-7H2,1-3H3;9-10H,4-8H2,1-3H3
InChIKeyJLPVLZZFOPFWOL-UHFFFAOYSA-N
MW515.86 g/mol
LogP7.61
Rot. Bonds6

About 4,4-difluoro-3-methyl-1-(2-methylpropyl)piperidine;3,5-dimethyl-1-(2-methylpropyl)piperidine;3-methyl-1-(2-methylpropyl)piperidine

4,4-difluoro-3-methyl-1-(2-methylpropyl)piperidine;3,5-dimethyl-1-(2-methylpropyl)piperidine;3-methyl-1-(2-methylpropyl)piperidine (PubChem CID 158952630) has the molecular formula C31H63F2N3 and a molecular weight of 515.86 g/mol. Its IUPAC name is 4,4-difluoro-3-methyl-1-(2-methylpropyl)piperidine;3,5-dimethyl-1-(2-methylpropyl)piperidine;3-methyl-1-(2-methylpropyl)piperidine.

Molecular Properties

Compound Name4,4-difluoro-3-methyl-1-(2-methylpropyl)piperidine;3,5-dimethyl-1-(2-methylpropyl)piperidine;3-methyl-1-(2-methylpropyl)piperidine
PubChem CID158952630
Molecular FormulaC31H63F2N3
Molecular Weight515.86 g/mol
Exact Mass515.50
IUPAC Name4,4-difluoro-3-methyl-1-(2-methylpropyl)piperidine;3,5-dimethyl-1-(2-methylpropyl)piperidine;3-methyl-1-(2-methylpropyl)piperidine
SMILESCC(C)CN1CC(C)CC(C)C1.CC(C)CN1CCC(F)(F)C(C)C1.CC(C)CN1CCCC(C)C1
InChIInChI=1S/C11H23N.C10H19F2N.C10H21N/c1-9(2)6-12-7-10(3)5-11(4)8-12;1-8(2)6-13-5-4-10(11,12)9(3)7-13;1-9(2)7-11-6-4-5-10(3)8-11/h9-11H,5-8H2,1-4H3;8-9H,4-7H2,1-3H3;9-10H,4-8H2,1-3H3
InChIKeyJLPVLZZFOPFWOL-UHFFFAOYSA-N
XLogP7.61
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.86
LogP ≤ 57.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(4-Fluoropiperidin-1-yl)ethyl]-3,3-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]piperidine
CID 130429287
1-butan-2-yl-4-methylpiperidine;N-ethyl-1-fluoro-N-propylpropan-2-amine;1-ethyl-4-methylpiperidine;1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylpiperidine
CID 143051197
1-(2,2-Difluoropropyl)-4-methylpiperidine;1-(3-fluoropropyl)-4-methylpiperidine
CID 144266433
1-Tert-butyl-4-propan-2-ylpiperidine;1-(2,2-difluoropropyl)-4-propan-2-ylpiperidine;1-(2,2-dimethylpropyl)-4-propan-2-ylpiperidine
CID 144929218
3,3-Difluoro-1-propylpiperidine;ethane;3-fluoro-3-methyl-1-propylpiperidine
CID 145329427
2,2-Difluoro-3-propan-2-yl-1-azabicyclo[2.2.2]octane
CID 155397661
1-Tert-butyl-4-methylpiperidine;1-tert-butyl-4-(trifluoromethyl)piperidine
CID 157368359
1-(2,2-Difluoroethyl)-4-propan-2-ylpiperidine;1-(2,2-difluoropropyl)-4-propan-2-ylpiperidine;4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine
CID 159676408
2,2-Dimethylpentane;1,4-dimethylpiperidine;4-methyl-1-(3,3,3-trifluoropropyl)piperidine
CID 159926620
4-Tert-butyl-1-ethyl-3,3-difluoropiperidine;4-tert-butyl-1-(2-fluoroethyl)piperidine
CID 160733526
1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-4-fluoropiperidine;(2S)-1-tert-butyl-2-methylpiperidine
CID 160869442
4,4-Difluoro-1-methylpiperidine;bis(1,4-dimethylpiperazine);1,3-dimethylpyrrolidine
CID 161274417

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-3-methyl-1-(2-methylpropyl)piperidine;3,5-dimethyl-1-(2-methylpropyl)piperidine;3-methyl-1-(2-methylpropyl)piperidine?
The IUPAC name of 4,4-difluoro-3-methyl-1-(2-methylpropyl)piperidine;3,5-dimethyl-1-(2-methylpropyl)piperidine;3-methyl-1-(2-methylpropyl)piperidine (CID 158952630) is 4,4-difluoro-3-methyl-1-(2-methylpropyl)piperidine;3,5-dimethyl-1-(2-methylpropyl)piperidine;3-methyl-1-(2-methylpropyl)piperidine.
What is the SMILES notation for 4,4-difluoro-3-methyl-1-(2-methylpropyl)piperidine;3,5-dimethyl-1-(2-methylpropyl)piperidine;3-methyl-1-(2-methylpropyl)piperidine?
The canonical SMILES for 4,4-difluoro-3-methyl-1-(2-methylpropyl)piperidine;3,5-dimethyl-1-(2-methylpropyl)piperidine;3-methyl-1-(2-methylpropyl)piperidine is CC(C)CN1CC(C)CC(C)C1.CC(C)CN1CCC(F)(F)C(C)C1.CC(C)CN1CCCC(C)C1.
What is the InChIKey of 4,4-difluoro-3-methyl-1-(2-methylpropyl)piperidine;3,5-dimethyl-1-(2-methylpropyl)piperidine;3-methyl-1-(2-methylpropyl)piperidine?
The InChIKey is JLPVLZZFOPFWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N.C10H19F2N.C10H21N/c1-9(2)6-12-7-10(3)5-11(4)8-12;1-8(2)6-13-5-4-10(11,12)9(3)7-13;1-9(2)7-11-6-4-5-10(3)8-11/h9-11H,5-8H2,1-4H3;8-9H,4-7H2,1-3H3;9-10H,4-8H2,1-3H3.
What are the key properties of 4,4-difluoro-3-methyl-1-(2-methylpropyl)piperidine;3,5-dimethyl-1-(2-methylpropyl)piperidine;3-methyl-1-(2-methylpropyl)piperidine?
4,4-difluoro-3-methyl-1-(2-methylpropyl)piperidine;3,5-dimethyl-1-(2-methylpropyl)piperidine;3-methyl-1-(2-methylpropyl)piperidine has a molecular weight of 515.86 g/mol, XLogP of 7.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-3-methyl-1-(2-methylpropyl)piperidine;3,5-dimethyl-1-(2-methylpropyl)piperidine;3-methyl-1-(2-methylpropyl)piperidine is sourced from PubChem (CID 158952630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).