2-(4-cyclohexylpiperazin-1-yl)-2-(4-hydroxyphenyl)acetic acid

C18H26N2O3 — CID 72934020

IUPAC2-(4-cyclohexylpiperazin-1-yl)-2-(4-hydroxyphenyl)acetic acid
SMILESO=C(O)C(c1ccc(O)cc1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C18H26N2O3/c21-16-8-6-14(7-9-16)17(18(22)23)20-12-10-19(11-13-20)15-4-2-1-3-5-15/h6-9,15,17,21H,1-5,10-13H2,(H,22,23)
InChIKeyWRXPKGPBUIZMFA-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.47
Rot. Bonds4

About 2-(4-cyclohexylpiperazin-1-yl)-2-(4-hydroxyphenyl)acetic acid

2-(4-cyclohexylpiperazin-1-yl)-2-(4-hydroxyphenyl)acetic acid (PubChem CID 72934020) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-(4-cyclohexylpiperazin-1-yl)-2-(4-hydroxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(4-cyclohexylpiperazin-1-yl)-2-(4-hydroxyphenyl)acetic acid
PubChem CID72934020
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name2-(4-cyclohexylpiperazin-1-yl)-2-(4-hydroxyphenyl)acetic acid
SMILESO=C(O)C(c1ccc(O)cc1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C18H26N2O3/c21-16-8-6-14(7-9-16)17(18(22)23)20-12-10-19(11-13-20)15-4-2-1-3-5-15/h6-9,15,17,21H,1-5,10-13H2,(H,22,23)
InChIKeyWRXPKGPBUIZMFA-UHFFFAOYSA-N
XLogP2.47
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(4-cyclohexyl-1,4-diazepan-1-yl)-2-(3-hydroxyphenyl)acetic acid
CID 97201917
(2R)-2-(4-hydroxyphenyl)-2-(4-thiomorpholin-4-ylpiperidin-1-yl)acetic acid
CID 97282266
(2S)-2-(4-cyclopentylpiperazin-1-yl)-2-(4-methoxy-3-methylphenyl)acetic acid
CID 97203112
4-[1-chloro-2-(4-cyclohexylpiperazin-1-yl)-2-phenylethyl]phenol
CID 71386889
(2S)-2-(4-chlorophenyl)-2-(4-cyclohexylpiperazin-1-yl)-N-cyclopentylacetamide
CID 92653700
(2R)-2-(4-cyclohexylpiperazin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetic acid
CID 97187483
1-cyclobutylpiperidine;ethane;4-hydroxybenzoic acid
CID 143903677
2-(4-chloro-1H-imidazol-5-yl)-2-(4-cyclopentylpiperazin-1-yl)acetic acid
CID 84744410
2-(4-cyclopentylpiperazin-1-yl)-2-(5-methyl-1H-imidazol-4-yl)acetic acid
CID 84743807
2-(4-cyclopentylpiperazin-1-yl)-2-(3,5-dimethyl-2-phenylimidazol-4-yl)acetic acid
CID 84745686
(2R)-2-piperidin-1-yl-2-pyridin-4-ylacetic acid
CID 95359616
4-[3,5-bis(trifluoromethyl)phenyl]-1-(4-cyclohexylpiperazin-1-yl)-1-phenylbutan-2-one
CID 59966198

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylpiperazin-1-yl)-2-(4-hydroxyphenyl)acetic acid?
The IUPAC name of 2-(4-cyclohexylpiperazin-1-yl)-2-(4-hydroxyphenyl)acetic acid (CID 72934020) is 2-(4-cyclohexylpiperazin-1-yl)-2-(4-hydroxyphenyl)acetic acid.
What is the SMILES notation for 2-(4-cyclohexylpiperazin-1-yl)-2-(4-hydroxyphenyl)acetic acid?
The canonical SMILES for 2-(4-cyclohexylpiperazin-1-yl)-2-(4-hydroxyphenyl)acetic acid is O=C(O)C(c1ccc(O)cc1)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of 2-(4-cyclohexylpiperazin-1-yl)-2-(4-hydroxyphenyl)acetic acid?
The InChIKey is WRXPKGPBUIZMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c21-16-8-6-14(7-9-16)17(18(22)23)20-12-10-19(11-13-20)15-4-2-1-3-5-15/h6-9,15,17,21H,1-5,10-13H2,(H,22,23).
What are the key properties of 2-(4-cyclohexylpiperazin-1-yl)-2-(4-hydroxyphenyl)acetic acid?
2-(4-cyclohexylpiperazin-1-yl)-2-(4-hydroxyphenyl)acetic acid has a molecular weight of 318.42 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylpiperazin-1-yl)-2-(4-hydroxyphenyl)acetic acid is sourced from PubChem (CID 72934020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).