methyl 1-(4-cyano-4-methylpentyl)piperidine-3-carboxylate

C14H24N2O2 — CID 79421855

IUPACmethyl 1-(4-cyano-4-methylpentyl)piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(CCCC(C)(C)C#N)C1
InChIInChI=1S/C14H24N2O2/c1-14(2,11-15)7-5-9-16-8-4-6-12(10-16)13(17)18-3/h12H,4-10H2,1-3H3
InChIKeyHQRUZLIIJFNRRN-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.20
Rot. Bonds5

About methyl 1-(4-cyano-4-methylpentyl)piperidine-3-carboxylate

methyl 1-(4-cyano-4-methylpentyl)piperidine-3-carboxylate (PubChem CID 79421855) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is methyl 1-(4-cyano-4-methylpentyl)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-cyano-4-methylpentyl)piperidine-3-carboxylate
PubChem CID79421855
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Namemethyl 1-(4-cyano-4-methylpentyl)piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(CCCC(C)(C)C#N)C1
InChIInChI=1S/C14H24N2O2/c1-14(2,11-15)7-5-9-16-8-4-6-12(10-16)13(17)18-3/h12H,4-10H2,1-3H3
InChIKeyHQRUZLIIJFNRRN-UHFFFAOYSA-N
XLogP2.20
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-cyano-5-methylhexyl)-N-methylpiperidine-3-carboxamide
CID 106710159
methyl (3S)-1-(3-cyanopropyl)piperidine-3-carboxylate
CID 79038062
1-(4-cyano-4-methylpentyl)pyrrolidine-3-carboxylic acid
CID 65255418
methyl 1-(3-aminopropyl)piperidine-3-carboxylate
CID 115533707
methyl 1-(4-aminobutyl)piperidine-3-carboxylate
CID 115533732
methyl (3S)-1-decylpiperidine-3-carboxylate
CID 115537543
methyl 1-(5-aminopentyl)piperidine-3-carboxylate
CID 115533740
2-[1-(4-cyano-4-methylpentyl)piperidin-3-yl]acetic acid
CID 65256104
methyl 1-(2-methoxyethyl)piperidine-3-carboxylate
CID 78920456
methyl (3S)-1-(3-methylbut-3-enyl)piperidine-3-carboxylate
CID 104926803
methyl 1-[2-(2-methoxyethoxy)ethyl]piperidine-3-carboxylate
CID 79884507
methyl (3S)-1-(2-ethoxyethyl)piperidine-3-carboxylate
CID 79038653

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-cyano-4-methylpentyl)piperidine-3-carboxylate?
The IUPAC name of methyl 1-(4-cyano-4-methylpentyl)piperidine-3-carboxylate (CID 79421855) is methyl 1-(4-cyano-4-methylpentyl)piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-(4-cyano-4-methylpentyl)piperidine-3-carboxylate?
The canonical SMILES for methyl 1-(4-cyano-4-methylpentyl)piperidine-3-carboxylate is COC(=O)C1CCCN(CCCC(C)(C)C#N)C1.
What is the InChIKey of methyl 1-(4-cyano-4-methylpentyl)piperidine-3-carboxylate?
The InChIKey is HQRUZLIIJFNRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-14(2,11-15)7-5-9-16-8-4-6-12(10-16)13(17)18-3/h12H,4-10H2,1-3H3.
What are the key properties of methyl 1-(4-cyano-4-methylpentyl)piperidine-3-carboxylate?
methyl 1-(4-cyano-4-methylpentyl)piperidine-3-carboxylate has a molecular weight of 252.36 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-cyano-4-methylpentyl)piperidine-3-carboxylate is sourced from PubChem (CID 79421855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).