2-(4-tert-butylcyclohexyl)-2-piperazin-1-ylacetic acid

C16H30N2O2 — CID 104575554

IUPAC2-(4-tert-butylcyclohexyl)-2-piperazin-1-ylacetic acid
SMILESCC(C)(C)C1CCC(C(C(=O)O)N2CCNCC2)CC1
InChIInChI=1S/C16H30N2O2/c1-16(2,3)13-6-4-12(5-7-13)14(15(19)20)18-10-8-17-9-11-18/h12-14,17H,4-11H2,1-3H3,(H,19,20)
InChIKeyFRUOTCJYJKJRHA-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.20
Rot. Bonds3

About 2-(4-tert-butylcyclohexyl)-2-piperazin-1-ylacetic acid

2-(4-tert-butylcyclohexyl)-2-piperazin-1-ylacetic acid (PubChem CID 104575554) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-(4-tert-butylcyclohexyl)-2-piperazin-1-ylacetic acid.

Molecular Properties

Compound Name2-(4-tert-butylcyclohexyl)-2-piperazin-1-ylacetic acid
PubChem CID104575554
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name2-(4-tert-butylcyclohexyl)-2-piperazin-1-ylacetic acid
SMILESCC(C)(C)C1CCC(C(C(=O)O)N2CCNCC2)CC1
InChIInChI=1S/C16H30N2O2/c1-16(2,3)13-6-4-12(5-7-13)14(15(19)20)18-10-8-17-9-11-18/h12-14,17H,4-11H2,1-3H3,(H,19,20)
InChIKeyFRUOTCJYJKJRHA-UHFFFAOYSA-N
XLogP2.20
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-tert-butylazetidin-1-yl)-2-cyclohexylacetic acid
CID 79695044
2-cyclopropyl-2-(4-methylpiperazin-1-yl)acetic acid
CID 65419887
2-(4-tert-butylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one
CID 62089527
(2R)-3,3-dimethyl-2-piperazin-1-ylbutanoic acid
CID 97170402
2-[4,7-bis(1-carboxy-2,2-dimethylpropyl)-1,4,7,10-tetrazacyclododec-1-yl]-3,3-dimethylbutanoic acid
CID 67200360
2-cyclohexyl-2-pyrrolidin-1-ylacetic acid
CID 43803517
2-cyclopropyl-2-(3-methylazetidin-1-yl)acetic acid
CID 79695487
2-cyclopropyl-2-(3-propan-2-ylazetidin-1-yl)acetic acid
CID 79695810
2-cyclopropyl-2-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]acetic acid
CID 136558071
2-[4,7-bis[carboxy-[(2-methylpropan-2-yl)oxy]methyl]-1,4,7,10-tetrazacyclododec-1-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 18795306
2-cyclohexyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid
CID 58786485
(4-tert-butylpiperidin-1-yl)-piperidin-4-ylmethanone;hydrochloride
CID 119311368

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylcyclohexyl)-2-piperazin-1-ylacetic acid?
The IUPAC name of 2-(4-tert-butylcyclohexyl)-2-piperazin-1-ylacetic acid (CID 104575554) is 2-(4-tert-butylcyclohexyl)-2-piperazin-1-ylacetic acid.
What is the SMILES notation for 2-(4-tert-butylcyclohexyl)-2-piperazin-1-ylacetic acid?
The canonical SMILES for 2-(4-tert-butylcyclohexyl)-2-piperazin-1-ylacetic acid is CC(C)(C)C1CCC(C(C(=O)O)N2CCNCC2)CC1.
What is the InChIKey of 2-(4-tert-butylcyclohexyl)-2-piperazin-1-ylacetic acid?
The InChIKey is FRUOTCJYJKJRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-16(2,3)13-6-4-12(5-7-13)14(15(19)20)18-10-8-17-9-11-18/h12-14,17H,4-11H2,1-3H3,(H,19,20).
What are the key properties of 2-(4-tert-butylcyclohexyl)-2-piperazin-1-ylacetic acid?
2-(4-tert-butylcyclohexyl)-2-piperazin-1-ylacetic acid has a molecular weight of 282.43 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylcyclohexyl)-2-piperazin-1-ylacetic acid is sourced from PubChem (CID 104575554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).