1-tert-butyl-4-[(4-tert-butyl-3-fluorocyclohexyl)methyl]piperazine

C19H37FN2 — CID 176841251

IUPAC1-tert-butyl-4-[(4-tert-butyl-3-fluorocyclohexyl)methyl]piperazine
SMILESCC(C)(C)C1CCC(CN2CCN(C(C)(C)C)CC2)CC1F
InChIInChI=1S/C19H37FN2/c1-18(2,3)16-8-7-15(13-17(16)20)14-21-9-11-22(12-10-21)19(4,5)6/h15-17H,7-14H2,1-6H3
InChIKeyCZXAQEXJHNBUMZ-UHFFFAOYSA-N
MW312.52 g/mol
LogP4.20
Rot. Bonds2

About 1-tert-butyl-4-[(4-tert-butyl-3-fluorocyclohexyl)methyl]piperazine

1-tert-butyl-4-[(4-tert-butyl-3-fluorocyclohexyl)methyl]piperazine (PubChem CID 176841251) has the molecular formula C19H37FN2 and a molecular weight of 312.52 g/mol. Its IUPAC name is 1-tert-butyl-4-[(4-tert-butyl-3-fluorocyclohexyl)methyl]piperazine.

Molecular Properties

Compound Name1-tert-butyl-4-[(4-tert-butyl-3-fluorocyclohexyl)methyl]piperazine
PubChem CID176841251
Molecular FormulaC19H37FN2
Molecular Weight312.52 g/mol
Exact Mass312.29
IUPAC Name1-tert-butyl-4-[(4-tert-butyl-3-fluorocyclohexyl)methyl]piperazine
SMILESCC(C)(C)C1CCC(CN2CCN(C(C)(C)C)CC2)CC1F
InChIInChI=1S/C19H37FN2/c1-18(2,3)16-8-7-15(13-17(16)20)14-21-9-11-22(12-10-21)19(4,5)6/h15-17H,7-14H2,1-6H3
InChIKeyCZXAQEXJHNBUMZ-UHFFFAOYSA-N
XLogP4.20
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.52
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-tert-butyl-4-[(4-tert-butyl-3-fluorocyclohexyl)methyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(9-tert-butyl-3-azaspiro[5.5]undec-3-yl)-N,N-dimethyl-1-propanamine
CID 56993
1-(4-Tert-butylcyclohexyl)-4-ethylpiperazine
CID 784591
1-[5,6-Diethyl-7,7-difluoro-3,5,6,8-tetramethyl-8-(trifluoromethyl)decan-3-yl]-4-methylpiperazine
CID 66615395
1-(2,3-Dimethylbutan-2-yl)-4-[4-[4-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pentyl]piperazine
CID 134576560
1-(2,3-Dimethylbutan-2-yl)-4-[4-[4-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]butyl]piperazine
CID 134576589
1-Tert-butyl-4-[[4-(2,2-dimethylpropyl)-1-fluorocyclohexyl]methyl]piperazine
CID 135273179
1-Methyl-4-(8,8,8-trifluoro-2,4,4,5,5,7,7-heptamethyloctan-2-yl)piperazine
CID 143149531
1-(2-Fluoroethyl)-2-methyl-4-(4-propan-2-ylcyclohexyl)piperazine
CID 145766777
1-(2,2-Dimethylpropyl)-4-[[4-(2,2-dimethylpropyl)-1-fluorocyclohexyl]methyl]piperazine
CID 153486100
Tert-butylcyclohexane;4-tert-butyl-1,1-difluorocyclohexane;1-tert-butylpiperidine
CID 161294557
4-Tert-butyl-1-[5-(1-tert-butylpiperidin-3-yl)-2-methylhexan-2-yl]-4-fluoropiperidine
CID 169847791
4-Butyl-1-propan-2-yl-2-(trifluoromethyl)piperazine;1-methyl-4-(2-methylpropyl)cyclohexane
CID 170569162

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[(4-tert-butyl-3-fluorocyclohexyl)methyl]piperazine?
The IUPAC name of 1-tert-butyl-4-[(4-tert-butyl-3-fluorocyclohexyl)methyl]piperazine (CID 176841251) is 1-tert-butyl-4-[(4-tert-butyl-3-fluorocyclohexyl)methyl]piperazine.
What is the SMILES notation for 1-tert-butyl-4-[(4-tert-butyl-3-fluorocyclohexyl)methyl]piperazine?
The canonical SMILES for 1-tert-butyl-4-[(4-tert-butyl-3-fluorocyclohexyl)methyl]piperazine is CC(C)(C)C1CCC(CN2CCN(C(C)(C)C)CC2)CC1F.
What is the InChIKey of 1-tert-butyl-4-[(4-tert-butyl-3-fluorocyclohexyl)methyl]piperazine?
The InChIKey is CZXAQEXJHNBUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37FN2/c1-18(2,3)16-8-7-15(13-17(16)20)14-21-9-11-22(12-10-21)19(4,5)6/h15-17H,7-14H2,1-6H3.
What are the key properties of 1-tert-butyl-4-[(4-tert-butyl-3-fluorocyclohexyl)methyl]piperazine?
1-tert-butyl-4-[(4-tert-butyl-3-fluorocyclohexyl)methyl]piperazine has a molecular weight of 312.52 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[(4-tert-butyl-3-fluorocyclohexyl)methyl]piperazine is sourced from PubChem (CID 176841251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).