1-benzyl-4-(4-tert-butylcyclohexyl)piperazine

C21H34N2 — CID 2846257

IUPAC1-benzyl-4-(4-tert-butylcyclohexyl)piperazine
SMILESCC(C)(C)C1CCC(N2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C21H34N2/c1-21(2,3)19-9-11-20(12-10-19)23-15-13-22(14-16-23)17-18-7-5-4-6-8-18/h4-8,19-20H,9-17H2,1-3H3
InChIKeySLGNIDPJGBHUAU-UHFFFAOYSA-N
MW314.52 g/mol
LogP4.41
Rot. Bonds3

About 1-benzyl-4-(4-tert-butylcyclohexyl)piperazine

1-benzyl-4-(4-tert-butylcyclohexyl)piperazine (PubChem CID 2846257) has the molecular formula C21H34N2 and a molecular weight of 314.52 g/mol. Its IUPAC name is 1-benzyl-4-(4-tert-butylcyclohexyl)piperazine.

Molecular Properties

Compound Name1-benzyl-4-(4-tert-butylcyclohexyl)piperazine
PubChem CID2846257
Molecular FormulaC21H34N2
Molecular Weight314.52 g/mol
Exact Mass314.27
IUPAC Name1-benzyl-4-(4-tert-butylcyclohexyl)piperazine
SMILESCC(C)(C)C1CCC(N2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C21H34N2/c1-21(2,3)19-9-11-20(12-10-19)23-15-13-22(14-16-23)17-18-7-5-4-6-8-18/h4-8,19-20H,9-17H2,1-3H3
InChIKeySLGNIDPJGBHUAU-UHFFFAOYSA-N
XLogP4.41
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.52
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-4-cyclopropylpiperazine
CID 69195043
1-(1-benzylpiperidin-4-yl)-4-tert-butylpiperazine
CID 68898535
1-(1-benzylpiperidin-4-yl)-4-(2-iodopropan-2-yl)piperazine
CID 163881798
1-benzyl-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperazine
CID 1334692
1-(1-benzylpiperidin-4-yl)-4-butylpiperazine
CID 68897580
1-(4-tert-butylcyclohexyl)-4-ethylpiperazine
CID 784591
1-benzyl-4-cyclohexylpiperazine;oxalic acid
CID 126476719
4-(4-benzylpiperazin-1-yl)piperidine-1-carboxylic acid
CID 69053980
1-[(4-fluorophenyl)methyl]-4-(4-phenylcyclohexyl)piperazine
CID 4677213
1-(1-benzylpiperidin-4-yl)azocane
CID 2846402
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-4-benzylpiperazine
CID 6480598

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(4-tert-butylcyclohexyl)piperazine?
The IUPAC name of 1-benzyl-4-(4-tert-butylcyclohexyl)piperazine (CID 2846257) is 1-benzyl-4-(4-tert-butylcyclohexyl)piperazine.
What is the SMILES notation for 1-benzyl-4-(4-tert-butylcyclohexyl)piperazine?
The canonical SMILES for 1-benzyl-4-(4-tert-butylcyclohexyl)piperazine is CC(C)(C)C1CCC(N2CCN(Cc3ccccc3)CC2)CC1.
What is the InChIKey of 1-benzyl-4-(4-tert-butylcyclohexyl)piperazine?
The InChIKey is SLGNIDPJGBHUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2/c1-21(2,3)19-9-11-20(12-10-19)23-15-13-22(14-16-23)17-18-7-5-4-6-8-18/h4-8,19-20H,9-17H2,1-3H3.
What are the key properties of 1-benzyl-4-(4-tert-butylcyclohexyl)piperazine?
1-benzyl-4-(4-tert-butylcyclohexyl)piperazine has a molecular weight of 314.52 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(4-tert-butylcyclohexyl)piperazine is sourced from PubChem (CID 2846257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).