4-[2-(4-fluoropiperidin-1-yl)ethyl]-3,3-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]piperidine

C22H42FN3 — CID 130429287

IUPAC4-[2-(4-fluoropiperidin-1-yl)ethyl]-3,3-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]piperidine
SMILESCN1CCC(CCN2CCC(CCN3CCC(F)CC3)C(C)(C)C2)CC1
InChIInChI=1S/C22H42FN3/c1-22(2)18-26(13-6-19-4-11-24(3)12-5-19)15-8-20(22)7-14-25-16-9-21(23)10-17-25/h19-21H,4-18H2,1-3H3
InChIKeyJCALOEHLGXRLDQ-UHFFFAOYSA-N
MW367.60 g/mol
LogP3.89
Rot. Bonds6

About 4-[2-(4-fluoropiperidin-1-yl)ethyl]-3,3-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]piperidine

4-[2-(4-fluoropiperidin-1-yl)ethyl]-3,3-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]piperidine (PubChem CID 130429287) has the molecular formula C22H42FN3 and a molecular weight of 367.60 g/mol. Its IUPAC name is 4-[2-(4-fluoropiperidin-1-yl)ethyl]-3,3-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]piperidine.

Molecular Properties

Compound Name4-[2-(4-fluoropiperidin-1-yl)ethyl]-3,3-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]piperidine
PubChem CID130429287
Molecular FormulaC22H42FN3
Molecular Weight367.60 g/mol
Exact Mass367.34
IUPAC Name4-[2-(4-fluoropiperidin-1-yl)ethyl]-3,3-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]piperidine
SMILESCN1CCC(CCN2CCC(CCN3CCC(F)CC3)C(C)(C)C2)CC1
InChIInChI=1S/C22H42FN3/c1-22(2)18-26(13-6-19-4-11-24(3)12-5-19)15-8-20(22)7-14-25-16-9-21(23)10-17-25/h19-21H,4-18H2,1-3H3
InChIKeyJCALOEHLGXRLDQ-UHFFFAOYSA-N
XLogP3.89
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.60
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[2-(4-fluoropiperidin-1-yl)ethyl]-3,3-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]piperidine with MolForge

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Related Compounds

1-Azabicyclo(2.2.2)octane, 4-(1-methylethyl)-
CID 142667
1-Azabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-
CID 142668
4-[2-(4-Fluoropiperidin-1-yl)propan-2-yl]-2-methyl-1-[2-(1-propan-2-ylpiperidin-4-yl)propan-2-yl]piperidine
CID 132158384
4-Tert-butyl-1-[5-[1-(2-fluoroethyl)-4-methylpiperidin-4-yl]-2,5-dimethylhexyl]-4-methylpiperidine
CID 132262451
4-Tert-butyl-1-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propan-2-yl]piperidine
CID 134184115
4-[(4-Tert-butylpiperidin-1-yl)methyl]-1-(2,2-dimethylpropyl)-4-fluoropiperidine
CID 140882005
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
4-Fluoro-3-propan-2-yl-1-azabicyclo[2.2.2]octane
CID 155397516
4-Tert-butyl-1-(2,2-difluoroethyl)piperidine;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;3-tert-butyl-1-ethylazetidine;4-tert-butyl-1-methylpiperidine;methane
CID 158303892
3-Tert-butyl-1-(2,2-difluoroethyl)azetidine;4-tert-butyl-1-(2,2-difluoroethyl)piperidine;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;4-tert-butyl-1-methylpiperidine
CID 158631272
4-Tert-butyl-1-(2,2-difluoroethyl)piperidine;4-tert-butyl-1-(2,2-difluoropropyl)piperidine;3-tert-butyl-1-ethylazetidine;4-tert-butyl-1-methylpiperidine
CID 158920826
4,4-Difluoro-3-methyl-1-(2-methylpropyl)piperidine;3,5-dimethyl-1-(2-methylpropyl)piperidine;3-methyl-1-(2-methylpropyl)piperidine
CID 158952630

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluoropiperidin-1-yl)ethyl]-3,3-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]piperidine?
The IUPAC name of 4-[2-(4-fluoropiperidin-1-yl)ethyl]-3,3-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]piperidine (CID 130429287) is 4-[2-(4-fluoropiperidin-1-yl)ethyl]-3,3-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]piperidine.
What is the SMILES notation for 4-[2-(4-fluoropiperidin-1-yl)ethyl]-3,3-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]piperidine?
The canonical SMILES for 4-[2-(4-fluoropiperidin-1-yl)ethyl]-3,3-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]piperidine is CN1CCC(CCN2CCC(CCN3CCC(F)CC3)C(C)(C)C2)CC1.
What is the InChIKey of 4-[2-(4-fluoropiperidin-1-yl)ethyl]-3,3-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]piperidine?
The InChIKey is JCALOEHLGXRLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42FN3/c1-22(2)18-26(13-6-19-4-11-24(3)12-5-19)15-8-20(22)7-14-25-16-9-21(23)10-17-25/h19-21H,4-18H2,1-3H3.
What are the key properties of 4-[2-(4-fluoropiperidin-1-yl)ethyl]-3,3-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]piperidine?
4-[2-(4-fluoropiperidin-1-yl)ethyl]-3,3-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]piperidine has a molecular weight of 367.60 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluoropiperidin-1-yl)ethyl]-3,3-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]piperidine is sourced from PubChem (CID 130429287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).