2-(1-piperazin-1-ylcyclohexyl)acetic acid

C12H22N2O2 — CID 115035729

IUPAC2-(1-piperazin-1-ylcyclohexyl)acetic acid
SMILESO=C(O)CC1(N2CCNCC2)CCCCC1
InChIInChI=1S/C12H22N2O2/c15-11(16)10-12(4-2-1-3-5-12)14-8-6-13-7-9-14/h13H,1-10H2,(H,15,16)
InChIKeyXLXJTPQDAASJHJ-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.07
Rot. Bonds3

About 2-(1-piperazin-1-ylcyclohexyl)acetic acid

2-(1-piperazin-1-ylcyclohexyl)acetic acid (PubChem CID 115035729) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-(1-piperazin-1-ylcyclohexyl)acetic acid.

Molecular Properties

Compound Name2-(1-piperazin-1-ylcyclohexyl)acetic acid
PubChem CID115035729
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-(1-piperazin-1-ylcyclohexyl)acetic acid
SMILESO=C(O)CC1(N2CCNCC2)CCCCC1
InChIInChI=1S/C12H22N2O2/c15-11(16)10-12(4-2-1-3-5-12)14-8-6-13-7-9-14/h13H,1-10H2,(H,15,16)
InChIKeyXLXJTPQDAASJHJ-UHFFFAOYSA-N
XLogP1.07
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Piperazin-1-yl)cyclohexane-1-carboxylic acid
CID 61002009
2-[1-(4-Methylpiperazin-1-yl)cyclohexyl]acetic acid dihydrochloride
CID 75481424
a-Cyclohexyl-a-(2-piperidyl)acetic acid
CID 129780554
11-Piperazin-1-ylundecanoic acid
CID 19002601
cis-(1S,3R)-3-piperazin-1-ylcyclohexane-1-carboxylic acid
CID 46175525
cis-(1R,3S)-3-piperazin-1-ylcyclohexane-1-carboxylic acid
CID 46175526
trans-(1R,3R)-3-piperazin-1-ylcyclohexane-1-carboxylic acid
CID 46175527
2-[1-(Methylamino)cyclohexyl]acetic acid
CID 54595016
2-[1-(Propylamino)cyclohexyl]acetic acid
CID 65235977
(2,6-Bis-aminomethylpiperidin-2-yl)acetic acid hydrochloride
CID 68575364
2-[2,6-Bis(aminomethyl)piperidin-2-yl]acetic acid
CID 68575365
1-[[4-(Aminomethyl)piperidin-1-yl]methyl]cyclohexane-1-carboxylic acid
CID 68585469

Frequently Asked Questions

What is the IUPAC name of 2-(1-piperazin-1-ylcyclohexyl)acetic acid?
The IUPAC name of 2-(1-piperazin-1-ylcyclohexyl)acetic acid (CID 115035729) is 2-(1-piperazin-1-ylcyclohexyl)acetic acid.
What is the SMILES notation for 2-(1-piperazin-1-ylcyclohexyl)acetic acid?
The canonical SMILES for 2-(1-piperazin-1-ylcyclohexyl)acetic acid is O=C(O)CC1(N2CCNCC2)CCCCC1.
What is the InChIKey of 2-(1-piperazin-1-ylcyclohexyl)acetic acid?
The InChIKey is XLXJTPQDAASJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c15-11(16)10-12(4-2-1-3-5-12)14-8-6-13-7-9-14/h13H,1-10H2,(H,15,16).
What are the key properties of 2-(1-piperazin-1-ylcyclohexyl)acetic acid?
2-(1-piperazin-1-ylcyclohexyl)acetic acid has a molecular weight of 226.32 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-piperazin-1-ylcyclohexyl)acetic acid is sourced from PubChem (CID 115035729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).