methyl 1-(4-methylpentyl)piperidine-4-carboxylate

C13H25NO2 — CID 83161732

IUPACmethyl 1-(4-methylpentyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CCCC(C)C)CC1
InChIInChI=1S/C13H25NO2/c1-11(2)5-4-8-14-9-6-12(7-10-14)13(15)16-3/h11-12H,4-10H2,1-3H3
InChIKeyBMEFQEBKVDYTSS-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.31
Rot. Bonds5

About methyl 1-(4-methylpentyl)piperidine-4-carboxylate

methyl 1-(4-methylpentyl)piperidine-4-carboxylate (PubChem CID 83161732) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is methyl 1-(4-methylpentyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-methylpentyl)piperidine-4-carboxylate
PubChem CID83161732
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Namemethyl 1-(4-methylpentyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CCCC(C)C)CC1
InChIInChI=1S/C13H25NO2/c1-11(2)5-4-8-14-9-6-12(7-10-14)13(15)16-3/h11-12H,4-10H2,1-3H3
InChIKeyBMEFQEBKVDYTSS-UHFFFAOYSA-N
XLogP2.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-(5-aminopentyl)piperidine-4-carboxylate
CID 63382770
methyl 1-[3-(dimethylamino)propyl]piperidine-4-carboxylate
CID 115630551
4-chloro-1-(4-methylpentyl)piperidine
CID 83168582
methyl 1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylate
CID 60669971
methyl 1-(2-butoxyethyl)piperidine-4-carboxylate
CID 61067326
methyl 1-(2-ethoxyethyl)piperidine-4-carboxylate
CID 60691218
methyl 1-hexylpyrrolidine-3-carboxylate
CID 79002814
2-[1-(4-methylpentyl)piperidin-4-yl]oxyacetic acid
CID 83158487
methyl 1-(4-phenylbutyl)piperidine-4-carboxylate
CID 114334475
N-[[1-(4-methylpentyl)piperidin-4-yl]methyl]ethanamine
CID 83158561
methyl 1-(2-methylsulfanyloxyethyl)piperidine-4-carboxylate
CID 166152765
1-O-methyl 4-O-(7-methyloctyl) cyclohexane-1,4-dicarboxylate
CID 90953819

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-methylpentyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(4-methylpentyl)piperidine-4-carboxylate (CID 83161732) is methyl 1-(4-methylpentyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(4-methylpentyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(4-methylpentyl)piperidine-4-carboxylate is COC(=O)C1CCN(CCCC(C)C)CC1.
What is the InChIKey of methyl 1-(4-methylpentyl)piperidine-4-carboxylate?
The InChIKey is BMEFQEBKVDYTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-11(2)5-4-8-14-9-6-12(7-10-14)13(15)16-3/h11-12H,4-10H2,1-3H3.
What are the key properties of methyl 1-(4-methylpentyl)piperidine-4-carboxylate?
methyl 1-(4-methylpentyl)piperidine-4-carboxylate has a molecular weight of 227.35 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-methylpentyl)piperidine-4-carboxylate is sourced from PubChem (CID 83161732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).