2,2-dimethylhexan-3-yl 2-methylpiperazine-1-carboxylate

C14H28N2O2 — CID 175378357

IUPAC2,2-dimethylhexan-3-yl 2-methylpiperazine-1-carboxylate
SMILESCCCC(OC(=O)N1CCNCC1C)C(C)(C)C
InChIInChI=1S/C14H28N2O2/c1-6-7-12(14(3,4)5)18-13(17)16-9-8-15-10-11(16)2/h11-12,15H,6-10H2,1-5H3
InChIKeyWIQASNGIAMOPCG-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.63
Rot. Bonds3

About 2,2-dimethylhexan-3-yl 2-methylpiperazine-1-carboxylate

2,2-dimethylhexan-3-yl 2-methylpiperazine-1-carboxylate (PubChem CID 175378357) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2,2-dimethylhexan-3-yl 2-methylpiperazine-1-carboxylate.

Molecular Properties

Compound Name2,2-dimethylhexan-3-yl 2-methylpiperazine-1-carboxylate
PubChem CID175378357
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2,2-dimethylhexan-3-yl 2-methylpiperazine-1-carboxylate
SMILESCCCC(OC(=O)N1CCNCC1C)C(C)(C)C
InChIInChI=1S/C14H28N2O2/c1-6-7-12(14(3,4)5)18-13(17)16-9-8-15-10-11(16)2/h11-12,15H,6-10H2,1-5H3
InChIKeyWIQASNGIAMOPCG-UHFFFAOYSA-N
XLogP2.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethylhexan-3-yl piperazine-1-carboxylate
CID 175815633
ethyl 2-methylpiperazine-1-carboxylate;hydrochloride
CID 118918526
butyl (2R)-2-methylpiperazine-1-carboxylate
CID 70918230
2-ethyl-1-(2-methylpiperazin-1-yl)hexan-1-one
CID 50999951
5,5-dimethyl-1-(2-methylpiperazin-1-yl)hexan-1-one
CID 115273038
1-(2-methylpiperazin-1-yl)propan-1-one
CID 10820824
2,2-dimethylhexan-3-yl 3-oxopiperazine-1-carboxylate
CID 169260496
2-ethyl-1-[(2R)-2-methylpiperazin-1-yl]butan-1-one
CID 82756442
3-methoxy-3-methyl-1-[(2S)-2-methylpiperazin-1-yl]butan-1-one
CID 103021646
1-[(2S)-2-methylpiperazin-1-yl]ethanone
CID 54446440
1-[(2R)-2-methylpiperazin-1-yl]ethanone
CID 55300442
3,4-dimethyl-1-(2-methylpiperazin-1-yl)pentan-1-one
CID 119473625

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylhexan-3-yl 2-methylpiperazine-1-carboxylate?
The IUPAC name of 2,2-dimethylhexan-3-yl 2-methylpiperazine-1-carboxylate (CID 175378357) is 2,2-dimethylhexan-3-yl 2-methylpiperazine-1-carboxylate.
What is the SMILES notation for 2,2-dimethylhexan-3-yl 2-methylpiperazine-1-carboxylate?
The canonical SMILES for 2,2-dimethylhexan-3-yl 2-methylpiperazine-1-carboxylate is CCCC(OC(=O)N1CCNCC1C)C(C)(C)C.
What is the InChIKey of 2,2-dimethylhexan-3-yl 2-methylpiperazine-1-carboxylate?
The InChIKey is WIQASNGIAMOPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-6-7-12(14(3,4)5)18-13(17)16-9-8-15-10-11(16)2/h11-12,15H,6-10H2,1-5H3.
What are the key properties of 2,2-dimethylhexan-3-yl 2-methylpiperazine-1-carboxylate?
2,2-dimethylhexan-3-yl 2-methylpiperazine-1-carboxylate has a molecular weight of 256.39 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylhexan-3-yl 2-methylpiperazine-1-carboxylate is sourced from PubChem (CID 175378357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).