2-methylpentyl 2-methylpiperidine-4-carboxylate

C13H25NO2 — CID 106743825

IUPAC2-methylpentyl 2-methylpiperidine-4-carboxylate
SMILESCCCC(C)COC(=O)C1CCNC(C)C1
InChIInChI=1S/C13H25NO2/c1-4-5-10(2)9-16-13(15)12-6-7-14-11(3)8-12/h10-12,14H,4-9H2,1-3H3
InChIKeyNVXAQXNCYVQZCL-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.35
Rot. Bonds5

About 2-methylpentyl 2-methylpiperidine-4-carboxylate

2-methylpentyl 2-methylpiperidine-4-carboxylate (PubChem CID 106743825) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-methylpentyl 2-methylpiperidine-4-carboxylate.

Molecular Properties

Compound Name2-methylpentyl 2-methylpiperidine-4-carboxylate
PubChem CID106743825
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-methylpentyl 2-methylpiperidine-4-carboxylate
SMILESCCCC(C)COC(=O)C1CCNC(C)C1
InChIInChI=1S/C13H25NO2/c1-4-5-10(2)9-16-13(15)12-6-7-14-11(3)8-12/h10-12,14H,4-9H2,1-3H3
InChIKeyNVXAQXNCYVQZCL-UHFFFAOYSA-N
XLogP2.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethylhexyl 2-methylpiperidine-4-carboxylate
CID 106743792
2-methylpentyl 3-methylpyrrolidine-2-carboxylate
CID 103284116
butyl 2-methylpiperidine-4-carboxylate
CID 106743768
(2S,4S)-N-hexan-3-yl-2-methylpiperidine-4-carboxamide
CID 120627601
ethyl 2-methyl-3-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]propanoate
CID 120633653
3,3-dimethylbutyl 2-methylpiperidine-4-carboxylate
CID 106743813
2-methylpentyl thiomorpholine-3-carboxylate
CID 103284300
methyl 2-methylpiperidine-4-carboxylate;hydrochloride
CID 121333420
(2S,4S)-N-(1-methoxyhexan-2-yl)-2-methylpiperidine-4-carboxamide
CID 120634648
2-methylpentyl 2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylate
CID 103284237
1-(2-methylpiperidin-4-yl)propan-1-one
CID 165461766
benzyl (2S)-2-methylpiperidine-4-carboxylate
CID 58583746

Frequently Asked Questions

What is the IUPAC name of 2-methylpentyl 2-methylpiperidine-4-carboxylate?
The IUPAC name of 2-methylpentyl 2-methylpiperidine-4-carboxylate (CID 106743825) is 2-methylpentyl 2-methylpiperidine-4-carboxylate.
What is the SMILES notation for 2-methylpentyl 2-methylpiperidine-4-carboxylate?
The canonical SMILES for 2-methylpentyl 2-methylpiperidine-4-carboxylate is CCCC(C)COC(=O)C1CCNC(C)C1.
What is the InChIKey of 2-methylpentyl 2-methylpiperidine-4-carboxylate?
The InChIKey is NVXAQXNCYVQZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-4-5-10(2)9-16-13(15)12-6-7-14-11(3)8-12/h10-12,14H,4-9H2,1-3H3.
What are the key properties of 2-methylpentyl 2-methylpiperidine-4-carboxylate?
2-methylpentyl 2-methylpiperidine-4-carboxylate has a molecular weight of 227.35 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpentyl 2-methylpiperidine-4-carboxylate is sourced from PubChem (CID 106743825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).