4-[4-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-1-yl]butanoic acid

C24H38N2O2 — CID 174516681

IUPAC4-[4-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-1-yl]butanoic acid
SMILESCC(C)(C)C1CCC(c2ccccc2N2CCN(CCCC(=O)O)CC2)CC1
InChIInChI=1S/C24H38N2O2/c1-24(2,3)20-12-10-19(11-13-20)21-7-4-5-8-22(21)26-17-15-25(16-18-26)14-6-9-23(27)28/h4-5,7-8,19-20H,6,9-18H2,1-3H3,(H,27,28)
InChIKeyKHJIMZBWHJULCF-UHFFFAOYSA-N
MW386.58 g/mol
LogP4.99
Rot. Bonds6

About 4-[4-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-1-yl]butanoic acid

4-[4-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-1-yl]butanoic acid (PubChem CID 174516681) has the molecular formula C24H38N2O2 and a molecular weight of 386.58 g/mol. Its IUPAC name is 4-[4-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[4-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-1-yl]butanoic acid
PubChem CID174516681
Molecular FormulaC24H38N2O2
Molecular Weight386.58 g/mol
Exact Mass386.29
IUPAC Name4-[4-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-1-yl]butanoic acid
SMILESCC(C)(C)C1CCC(c2ccccc2N2CCN(CCCC(=O)O)CC2)CC1
InChIInChI=1S/C24H38N2O2/c1-24(2,3)20-12-10-19(11-13-20)21-7-4-5-8-22(21)26-17-15-25(16-18-26)14-6-9-23(27)28/h4-5,7-8,19-20H,6,9-18H2,1-3H3,(H,27,28)
InChIKeyKHJIMZBWHJULCF-UHFFFAOYSA-N
XLogP4.99
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.58
LogP ≤ 54.99
H-Bond Donors ≤ 51
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
1-[2-(4-tert-butylcyclohexyl)phenyl]-4-methylpiperazine;hydrochloride
CID 23143135
1-[2-(4-tert-butylcyclohexyl)phenyl]-4-(cyclopentylmethyl)piperazine;hydrochloride
CID 23141796
ethyl 4-[2-(4-tert-butylcyclohexyl)phenyl]piperazine-1-carboxylate
CID 59769450
4-[2-(4-tert-butylcyclohexyl)phenyl]butanoic acid
CID 117487407
2-[4-(4-tert-butylcyclohexyl)-3-(4-butylpiperazin-1-yl)phenoxy]acetic acid
CID 23141663
4-[4-(2-fluorophenyl)piperazin-1-yl]butanoic acid
CID 20994315
4-[4-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-1-yl]pentanamide;hydrochloride
CID 174502572
1-[2-[4-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-1-yl]cyclohexyl]propan-1-one
CID 150075303
methyl 4-(4-tert-butylcyclohexyl)-3-(4-butylpiperazin-1-yl)benzoate
CID 58767708
4-[4-(2-ethoxyphenyl)piperazin-1-yl]butanoic acid
CID 119134368

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-1-yl]butanoic acid?
The IUPAC name of 4-[4-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-1-yl]butanoic acid (CID 174516681) is 4-[4-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-1-yl]butanoic acid.
What is the SMILES notation for 4-[4-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-1-yl]butanoic acid?
The canonical SMILES for 4-[4-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-1-yl]butanoic acid is CC(C)(C)C1CCC(c2ccccc2N2CCN(CCCC(=O)O)CC2)CC1.
What is the InChIKey of 4-[4-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-1-yl]butanoic acid?
The InChIKey is KHJIMZBWHJULCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N2O2/c1-24(2,3)20-12-10-19(11-13-20)21-7-4-5-8-22(21)26-17-15-25(16-18-26)14-6-9-23(27)28/h4-5,7-8,19-20H,6,9-18H2,1-3H3,(H,27,28).
What are the key properties of 4-[4-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-1-yl]butanoic acid?
4-[4-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-1-yl]butanoic acid has a molecular weight of 386.58 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-1-yl]butanoic acid is sourced from PubChem (CID 174516681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).