ethyl 4-[2-(4-tert-butylcyclohexyl)phenyl]piperazine-1-carboxylate

C23H36N2O2 — CID 59769450

IUPACethyl 4-[2-(4-tert-butylcyclohexyl)phenyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ccccc2C2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C23H36N2O2/c1-5-27-22(26)25-16-14-24(15-17-25)21-9-7-6-8-20(21)18-10-12-19(13-11-18)23(2,3)4/h6-9,18-19H,5,10-17H2,1-4H3
InChIKeyAFOHMUZNANERFO-UHFFFAOYSA-N
MW372.55 g/mol
LogP5.28
Rot. Bonds3

About ethyl 4-[2-(4-tert-butylcyclohexyl)phenyl]piperazine-1-carboxylate

ethyl 4-[2-(4-tert-butylcyclohexyl)phenyl]piperazine-1-carboxylate (PubChem CID 59769450) has the molecular formula C23H36N2O2 and a molecular weight of 372.55 g/mol. Its IUPAC name is ethyl 4-[2-(4-tert-butylcyclohexyl)phenyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(4-tert-butylcyclohexyl)phenyl]piperazine-1-carboxylate
PubChem CID59769450
Molecular FormulaC23H36N2O2
Molecular Weight372.55 g/mol
Exact Mass372.28
IUPAC Nameethyl 4-[2-(4-tert-butylcyclohexyl)phenyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ccccc2C2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C23H36N2O2/c1-5-27-22(26)25-16-14-24(15-17-25)21-9-7-6-8-20(21)18-10-12-19(13-11-18)23(2,3)4/h6-9,18-19H,5,10-17H2,1-4H3
InChIKeyAFOHMUZNANERFO-UHFFFAOYSA-N
XLogP5.28
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.55
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-1-yl]-N-ethylpropanamide
CID 23142984
1-[2-(4-tert-butylcyclohexyl)phenyl]-4-(cyclopropylmethyl)piperazine
CID 23142749
4-[4-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-1-yl]butanoic acid
CID 174516681
ethyl 4-[2-(1-hydroxyethyl)phenyl]piperazine-1-carboxylate
CID 107877242
4-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) piperazine-1,4-dicarboxylate
CID 129193688
ethyl 4-tritylpiperidine-1-carboxylate
CID 22911669
ethyl 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetyl]piperazine-1-carboxylate
CID 108530741
ethyl 4-(3-chloro-2-formylphenyl)piperazine-1-carboxylate
CID 107877137
ethyl 4-(2-amino-3-pyridinyl)piperazine-1-carboxylate
CID 107876769
ethyl 3-oxo-4-[2-(4-propanoylpiperazin-1-yl)phenyl]cyclopentane-1-carboxylate
CID 50882875
tert-butyl 4-(4-bromo-2-cyclopropylphenyl)piperazine-1-carboxylate
CID 164662475
9H-fluoren-9-ylmethyl 4-acetylpiperazine-1-carboxylate
CID 59751608

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(4-tert-butylcyclohexyl)phenyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(4-tert-butylcyclohexyl)phenyl]piperazine-1-carboxylate (CID 59769450) is ethyl 4-[2-(4-tert-butylcyclohexyl)phenyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(4-tert-butylcyclohexyl)phenyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(4-tert-butylcyclohexyl)phenyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(c2ccccc2C2CCC(C(C)(C)C)CC2)CC1.
What is the InChIKey of ethyl 4-[2-(4-tert-butylcyclohexyl)phenyl]piperazine-1-carboxylate?
The InChIKey is AFOHMUZNANERFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O2/c1-5-27-22(26)25-16-14-24(15-17-25)21-9-7-6-8-20(21)18-10-12-19(13-11-18)23(2,3)4/h6-9,18-19H,5,10-17H2,1-4H3.
What are the key properties of ethyl 4-[2-(4-tert-butylcyclohexyl)phenyl]piperazine-1-carboxylate?
ethyl 4-[2-(4-tert-butylcyclohexyl)phenyl]piperazine-1-carboxylate has a molecular weight of 372.55 g/mol, XLogP of 5.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(4-tert-butylcyclohexyl)phenyl]piperazine-1-carboxylate is sourced from PubChem (CID 59769450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).