2-[2-[4-(4-cyclohexylpiperazin-1-yl)butyl]piperazin-1-yl]acetic acid

C20H38N4O2 — CID 174337604

IUPAC2-[2-[4-(4-cyclohexylpiperazin-1-yl)butyl]piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCNCC1CCCCN1CCN(C2CCCCC2)CC1
InChIInChI=1S/C20H38N4O2/c25-20(26)17-24-11-9-21-16-19(24)8-4-5-10-22-12-14-23(15-13-22)18-6-2-1-3-7-18/h18-19,21H,1-17H2,(H,25,26)
InChIKeyYLDICHPXEZHLSN-UHFFFAOYSA-N
MW366.55 g/mol
LogP1.47
Rot. Bonds8

About 2-[2-[4-(4-cyclohexylpiperazin-1-yl)butyl]piperazin-1-yl]acetic acid

2-[2-[4-(4-cyclohexylpiperazin-1-yl)butyl]piperazin-1-yl]acetic acid (PubChem CID 174337604) has the molecular formula C20H38N4O2 and a molecular weight of 366.55 g/mol. Its IUPAC name is 2-[2-[4-(4-cyclohexylpiperazin-1-yl)butyl]piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[4-(4-cyclohexylpiperazin-1-yl)butyl]piperazin-1-yl]acetic acid
PubChem CID174337604
Molecular FormulaC20H38N4O2
Molecular Weight366.55 g/mol
Exact Mass366.30
IUPAC Name2-[2-[4-(4-cyclohexylpiperazin-1-yl)butyl]piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCNCC1CCCCN1CCN(C2CCCCC2)CC1
InChIInChI=1S/C20H38N4O2/c25-20(26)17-24-11-9-21-16-19(24)8-4-5-10-22-12-14-23(15-13-22)18-6-2-1-3-7-18/h18-19,21H,1-17H2,(H,25,26)
InChIKeyYLDICHPXEZHLSN-UHFFFAOYSA-N
XLogP1.47
TPSA59.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.55
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-[4-(4-cyclohexylpiperazin-1-yl)butyl]-4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)piperazin-1-yl]acetic acid
CID 67654288
2-[2-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazin-1-yl]acetic acid
CID 174310664
1-cyclohexylpiperazine;3-oxobutanoic acid
CID 70416246
1-cyclopentyl-4-(2-piperidin-3-ylethyl)piperazine
CID 55091230
3-(4-cyclohexylpiperazin-1-yl)propan-1-amine
CID 12043292
3-(4-cyclopentyl-1,4-diazepan-1-yl)-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982571
1-cyclohexyl-4-(3-isocyanopropyl)piperazine
CID 3613896
4-[[(2S)-1-(4-cyclohexylbutyl)piperazin-2-yl]methyl]phenol
CID 23641130
2-(2-pentylpiperazin-1-yl)-1-phenylethanone
CID 66668802
2-(4-cyclopentylpiperazin-1-yl)-1-(1,4-diazepan-1-yl)ethanone
CID 62370097
3-(4-cyclohexylpiperazin-1-yl)-1-phenylpropan-1-one
CID 166604154
1-cyclopropyl-4-(3-piperidin-4-ylpropyl)piperazine
CID 62212520

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(4-cyclohexylpiperazin-1-yl)butyl]piperazin-1-yl]acetic acid?
The IUPAC name of 2-[2-[4-(4-cyclohexylpiperazin-1-yl)butyl]piperazin-1-yl]acetic acid (CID 174337604) is 2-[2-[4-(4-cyclohexylpiperazin-1-yl)butyl]piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[2-[4-(4-cyclohexylpiperazin-1-yl)butyl]piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[2-[4-(4-cyclohexylpiperazin-1-yl)butyl]piperazin-1-yl]acetic acid is O=C(O)CN1CCNCC1CCCCN1CCN(C2CCCCC2)CC1.
What is the InChIKey of 2-[2-[4-(4-cyclohexylpiperazin-1-yl)butyl]piperazin-1-yl]acetic acid?
The InChIKey is YLDICHPXEZHLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N4O2/c25-20(26)17-24-11-9-21-16-19(24)8-4-5-10-22-12-14-23(15-13-22)18-6-2-1-3-7-18/h18-19,21H,1-17H2,(H,25,26).
What are the key properties of 2-[2-[4-(4-cyclohexylpiperazin-1-yl)butyl]piperazin-1-yl]acetic acid?
2-[2-[4-(4-cyclohexylpiperazin-1-yl)butyl]piperazin-1-yl]acetic acid has a molecular weight of 366.55 g/mol, XLogP of 1.47, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(4-cyclohexylpiperazin-1-yl)butyl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 174337604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).