4-(4-tert-butylcyclohexyl)piperazine-1-carboxylic acid

C15H28N2O2 — CID 91007928

IUPAC4-(4-tert-butylcyclohexyl)piperazine-1-carboxylic acid
SMILESCC(C)(C)C1CCC(N2CCN(C(=O)O)CC2)CC1
InChIInChI=1S/C15H28N2O2/c1-15(2,3)12-4-6-13(7-5-12)16-8-10-17(11-9-16)14(18)19/h12-13H,4-11H2,1-3H3,(H,18,19)
InChIKeyLZCYOTHTHKVMSN-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.89
Rot. Bonds1

About 4-(4-tert-butylcyclohexyl)piperazine-1-carboxylic acid

4-(4-tert-butylcyclohexyl)piperazine-1-carboxylic acid (PubChem CID 91007928) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-(4-tert-butylcyclohexyl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-(4-tert-butylcyclohexyl)piperazine-1-carboxylic acid
PubChem CID91007928
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name4-(4-tert-butylcyclohexyl)piperazine-1-carboxylic acid
SMILESCC(C)(C)C1CCC(N2CCN(C(=O)O)CC2)CC1
InChIInChI=1S/C15H28N2O2/c1-15(2,3)12-4-6-13(7-5-12)16-8-10-17(11-9-16)14(18)19/h12-13H,4-11H2,1-3H3,(H,18,19)
InChIKeyLZCYOTHTHKVMSN-UHFFFAOYSA-N
XLogP2.89
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylcyclohexyl)piperazine-1-carboxylic acid?
The IUPAC name of 4-(4-tert-butylcyclohexyl)piperazine-1-carboxylic acid (CID 91007928) is 4-(4-tert-butylcyclohexyl)piperazine-1-carboxylic acid.
What is the SMILES notation for 4-(4-tert-butylcyclohexyl)piperazine-1-carboxylic acid?
The canonical SMILES for 4-(4-tert-butylcyclohexyl)piperazine-1-carboxylic acid is CC(C)(C)C1CCC(N2CCN(C(=O)O)CC2)CC1.
What is the InChIKey of 4-(4-tert-butylcyclohexyl)piperazine-1-carboxylic acid?
The InChIKey is LZCYOTHTHKVMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-15(2,3)12-4-6-13(7-5-12)16-8-10-17(11-9-16)14(18)19/h12-13H,4-11H2,1-3H3,(H,18,19).
What are the key properties of 4-(4-tert-butylcyclohexyl)piperazine-1-carboxylic acid?
4-(4-tert-butylcyclohexyl)piperazine-1-carboxylic acid has a molecular weight of 268.40 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylcyclohexyl)piperazine-1-carboxylic acid is sourced from PubChem (CID 91007928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).