4-(1-tert-butylpiperidin-4-yl)-1-[(1-tert-butylpiperidin-4-yl)methyl]-3-fluoropiperidine

C24H46FN3 — CID 171723123

IUPAC4-(1-tert-butylpiperidin-4-yl)-1-[(1-tert-butylpiperidin-4-yl)methyl]-3-fluoropiperidine
SMILESCC(C)(C)N1CCC(CN2CCC(C3CCN(C(C)(C)C)CC3)C(F)C2)CC1
InChIInChI=1S/C24H46FN3/c1-23(2,3)27-13-7-19(8-14-27)17-26-12-11-21(22(25)18-26)20-9-15-28(16-10-20)24(4,5)6/h19-22H,7-18H2,1-6H3
InChIKeyOGMHPMAJKBUKHK-UHFFFAOYSA-N
MW395.65 g/mol
LogP4.67
Rot. Bonds3

About 4-(1-tert-butylpiperidin-4-yl)-1-[(1-tert-butylpiperidin-4-yl)methyl]-3-fluoropiperidine

4-(1-tert-butylpiperidin-4-yl)-1-[(1-tert-butylpiperidin-4-yl)methyl]-3-fluoropiperidine (PubChem CID 171723123) has the molecular formula C24H46FN3 and a molecular weight of 395.65 g/mol. Its IUPAC name is 4-(1-tert-butylpiperidin-4-yl)-1-[(1-tert-butylpiperidin-4-yl)methyl]-3-fluoropiperidine.

Molecular Properties

Compound Name4-(1-tert-butylpiperidin-4-yl)-1-[(1-tert-butylpiperidin-4-yl)methyl]-3-fluoropiperidine
PubChem CID171723123
Molecular FormulaC24H46FN3
Molecular Weight395.65 g/mol
Exact Mass395.37
IUPAC Name4-(1-tert-butylpiperidin-4-yl)-1-[(1-tert-butylpiperidin-4-yl)methyl]-3-fluoropiperidine
SMILESCC(C)(C)N1CCC(CN2CCC(C3CCN(C(C)(C)C)CC3)C(F)C2)CC1
InChIInChI=1S/C24H46FN3/c1-23(2,3)27-13-7-19(8-14-27)17-26-12-11-21(22(25)18-26)20-9-15-28(16-10-20)24(4,5)6/h19-22H,7-18H2,1-6H3
InChIKeyOGMHPMAJKBUKHK-UHFFFAOYSA-N
XLogP4.67
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.65
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Ethyl-1-azabicyclo[2.2.2]octane
CID 359210
3-Fluoro-1-[5-(4-fluoropiperidin-1-yl)-2,5,8-trimethyl-8-piperidin-1-ylnonan-2-yl]piperidine
CID 126555513
1-(1-Tert-butylpiperidin-4-yl)-4-fluoro-3,4,5-trimethylpiperidine
CID 129258302
1-Tert-butyl-3,3-difluoro-4-[2-methyl-2-[4-(trifluoromethyl)piperidin-1-yl]propyl]piperidine
CID 130179487
4-[2-(4-Fluoropiperidin-1-yl)ethyl]-3,3-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]piperidine
CID 130429287
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
1-(2,5-Dimethyl-5-piperidin-1-ylhexan-2-yl)-4-fluoropiperidine
CID 139427883
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-1-[2-(1-propan-2-ylpiperidin-4-yl)propan-2-yl]piperidine
CID 155129389
4-Fluoro-3-propan-2-yl-1-azabicyclo[2.2.2]octane
CID 155397516
2,2-Difluoro-3-propan-2-yl-1-azabicyclo[2.2.2]octane
CID 155397661
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-(1-tert-butylpiperidin-4-yl)-1-[(1-tert-butylpiperidin-4-yl)methyl]-3-fluoropiperidine?
The IUPAC name of 4-(1-tert-butylpiperidin-4-yl)-1-[(1-tert-butylpiperidin-4-yl)methyl]-3-fluoropiperidine (CID 171723123) is 4-(1-tert-butylpiperidin-4-yl)-1-[(1-tert-butylpiperidin-4-yl)methyl]-3-fluoropiperidine.
What is the SMILES notation for 4-(1-tert-butylpiperidin-4-yl)-1-[(1-tert-butylpiperidin-4-yl)methyl]-3-fluoropiperidine?
The canonical SMILES for 4-(1-tert-butylpiperidin-4-yl)-1-[(1-tert-butylpiperidin-4-yl)methyl]-3-fluoropiperidine is CC(C)(C)N1CCC(CN2CCC(C3CCN(C(C)(C)C)CC3)C(F)C2)CC1.
What is the InChIKey of 4-(1-tert-butylpiperidin-4-yl)-1-[(1-tert-butylpiperidin-4-yl)methyl]-3-fluoropiperidine?
The InChIKey is OGMHPMAJKBUKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46FN3/c1-23(2,3)27-13-7-19(8-14-27)17-26-12-11-21(22(25)18-26)20-9-15-28(16-10-20)24(4,5)6/h19-22H,7-18H2,1-6H3.
What are the key properties of 4-(1-tert-butylpiperidin-4-yl)-1-[(1-tert-butylpiperidin-4-yl)methyl]-3-fluoropiperidine?
4-(1-tert-butylpiperidin-4-yl)-1-[(1-tert-butylpiperidin-4-yl)methyl]-3-fluoropiperidine has a molecular weight of 395.65 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-tert-butylpiperidin-4-yl)-1-[(1-tert-butylpiperidin-4-yl)methyl]-3-fluoropiperidine is sourced from PubChem (CID 171723123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).