4-methylpentan-2-yl 2-piperazin-1-ylpropanoate

C13H26N2O2 — CID 62310668

IUPAC4-methylpentan-2-yl 2-piperazin-1-ylpropanoate
SMILESCC(C)CC(C)OC(=O)C(C)N1CCNCC1
InChIInChI=1S/C13H26N2O2/c1-10(2)9-11(3)17-13(16)12(4)15-7-5-14-6-8-15/h10-12,14H,5-9H2,1-4H3
InChIKeyNIFMXPPCAVWYDX-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.26
Rot. Bonds5

About 4-methylpentan-2-yl 2-piperazin-1-ylpropanoate

4-methylpentan-2-yl 2-piperazin-1-ylpropanoate (PubChem CID 62310668) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 4-methylpentan-2-yl 2-piperazin-1-ylpropanoate.

Molecular Properties

Compound Name4-methylpentan-2-yl 2-piperazin-1-ylpropanoate
PubChem CID62310668
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name4-methylpentan-2-yl 2-piperazin-1-ylpropanoate
SMILESCC(C)CC(C)OC(=O)C(C)N1CCNCC1
InChIInChI=1S/C13H26N2O2/c1-10(2)9-11(3)17-13(16)12(4)15-7-5-14-6-8-15/h10-12,14H,5-9H2,1-4H3
InChIKeyNIFMXPPCAVWYDX-UHFFFAOYSA-N
XLogP1.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylpropoxy)ethyl 2-piperazin-1-ylpropanoate
CID 106447975
N-methyl-N-(4-methylpentan-2-yl)-2-piperazin-1-ylpropanamide
CID 55000406
2-piperazin-1-ylpropanamide;dihydrochloride
CID 54593431
(2R)-N,N-dimethyl-2-piperazin-1-ylpropanamide
CID 28906098
methyl 2-(2-piperazin-1-ylpropanoylamino)propanoate
CID 54960724
N-ethyl-N-(2-methylpropyl)-2-piperazin-1-ylpropanamide
CID 43274010
3-hydroxy-2-piperazin-1-ylbutanamide
CID 66898165
2-(7-methyl-1,4,7,10-tetrazacyclododec-1-yl)propanoic acid
CID 58654629
4-methylpentan-2-yl 2-amino-4-methylpentanoate
CID 61277406
4-methylpentan-2-yl 2-(aminomethyl)-3-methylbutanoate
CID 65220441
ethyl 3-methyl-2-piperazin-1-ylpentanoate
CID 61319359
(3-bromophenyl)methyl 2-piperazin-1-ylpropanoate
CID 82824066

Frequently Asked Questions

What is the IUPAC name of 4-methylpentan-2-yl 2-piperazin-1-ylpropanoate?
The IUPAC name of 4-methylpentan-2-yl 2-piperazin-1-ylpropanoate (CID 62310668) is 4-methylpentan-2-yl 2-piperazin-1-ylpropanoate.
What is the SMILES notation for 4-methylpentan-2-yl 2-piperazin-1-ylpropanoate?
The canonical SMILES for 4-methylpentan-2-yl 2-piperazin-1-ylpropanoate is CC(C)CC(C)OC(=O)C(C)N1CCNCC1.
What is the InChIKey of 4-methylpentan-2-yl 2-piperazin-1-ylpropanoate?
The InChIKey is NIFMXPPCAVWYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10(2)9-11(3)17-13(16)12(4)15-7-5-14-6-8-15/h10-12,14H,5-9H2,1-4H3.
What are the key properties of 4-methylpentan-2-yl 2-piperazin-1-ylpropanoate?
4-methylpentan-2-yl 2-piperazin-1-ylpropanoate has a molecular weight of 242.36 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpentan-2-yl 2-piperazin-1-ylpropanoate is sourced from PubChem (CID 62310668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).