2-[(4-methylpiperazin-1-yl)methyl]hexanoic acid

C12H24N2O2 — CID 142749204

IUPAC2-[(4-methylpiperazin-1-yl)methyl]hexanoic acid
SMILESCCCCC(CN1CCN(C)CC1)C(=O)O
InChIInChI=1S/C12H24N2O2/c1-3-4-5-11(12(15)16)10-14-8-6-13(2)7-9-14/h11H,3-10H2,1-2H3,(H,15,16)
InChIKeyAFONWNPUDFBPKQ-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.12
Rot. Bonds6

About 2-[(4-methylpiperazin-1-yl)methyl]hexanoic acid

2-[(4-methylpiperazin-1-yl)methyl]hexanoic acid (PubChem CID 142749204) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-[(4-methylpiperazin-1-yl)methyl]hexanoic acid.

Molecular Properties

Compound Name2-[(4-methylpiperazin-1-yl)methyl]hexanoic acid
PubChem CID142749204
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-[(4-methylpiperazin-1-yl)methyl]hexanoic acid
SMILESCCCCC(CN1CCN(C)CC1)C(=O)O
InChIInChI=1S/C12H24N2O2/c1-3-4-5-11(12(15)16)10-14-8-6-13(2)7-9-14/h11H,3-10H2,1-2H3,(H,15,16)
InChIKeyAFONWNPUDFBPKQ-UHFFFAOYSA-N
XLogP1.12
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-4-(4-methylpiperazin-1-yl)butanoic acid
CID 67309269
2-(3,3-dihydroxypropyl)hexanoic acid
CID 175177467
methyl 2-[(4-methylpiperazin-1-yl)methyl]pentanoate
CID 117242072
1-(4-methylpiperazin-1-yl)hexan-2-amine
CID 60853142
CID 87702087
CID 87702087
2-(2-piperazin-1-ylethyl)hexanoic acid
CID 142749407
2-[2-(4-oxopiperidin-1-yl)ethyl]hexanoic acid
CID 142749227
(2R)-2-methyl-3-(4-methylpiperazin-1-yl)propanoic acid
CID 51704160
azane;2,7-dibutyloctanedioic acid
CID 174821009
2-amino-3-(4-methylpiperazin-1-yl)propanoic acid
CID 10611336
2-ethylhexanoate;bis(manganese(3+));bis(1,4,7-trimethyl-1,4,7-triazonane);diacetate
CID 138394549
2-(1-methylpiperidin-4-yl)hexanoic acid
CID 174928941

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylpiperazin-1-yl)methyl]hexanoic acid?
The IUPAC name of 2-[(4-methylpiperazin-1-yl)methyl]hexanoic acid (CID 142749204) is 2-[(4-methylpiperazin-1-yl)methyl]hexanoic acid.
What is the SMILES notation for 2-[(4-methylpiperazin-1-yl)methyl]hexanoic acid?
The canonical SMILES for 2-[(4-methylpiperazin-1-yl)methyl]hexanoic acid is CCCCC(CN1CCN(C)CC1)C(=O)O.
What is the InChIKey of 2-[(4-methylpiperazin-1-yl)methyl]hexanoic acid?
The InChIKey is AFONWNPUDFBPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-4-5-11(12(15)16)10-14-8-6-13(2)7-9-14/h11H,3-10H2,1-2H3,(H,15,16).
What are the key properties of 2-[(4-methylpiperazin-1-yl)methyl]hexanoic acid?
2-[(4-methylpiperazin-1-yl)methyl]hexanoic acid has a molecular weight of 228.34 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylpiperazin-1-yl)methyl]hexanoic acid is sourced from PubChem (CID 142749204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).