nonan-2-yl 1-methylpiperidine-4-carboxylate

C16H31NO2 — CID 174941700

IUPACnonan-2-yl 1-methylpiperidine-4-carboxylate
SMILESCCCCCCCC(C)OC(=O)C1CCN(C)CC1
InChIInChI=1S/C16H31NO2/c1-4-5-6-7-8-9-14(2)19-16(18)15-10-12-17(3)13-11-15/h14-15H,4-13H2,1-3H3
InChIKeyKRQLDYDSPOXUMR-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.62
Rot. Bonds8

About nonan-2-yl 1-methylpiperidine-4-carboxylate

nonan-2-yl 1-methylpiperidine-4-carboxylate (PubChem CID 174941700) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is nonan-2-yl 1-methylpiperidine-4-carboxylate.

Molecular Properties

Compound Namenonan-2-yl 1-methylpiperidine-4-carboxylate
PubChem CID174941700
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Namenonan-2-yl 1-methylpiperidine-4-carboxylate
SMILESCCCCCCCC(C)OC(=O)C1CCN(C)CC1
InChIInChI=1S/C16H31NO2/c1-4-5-6-7-8-9-14(2)19-16(18)15-10-12-17(3)13-11-15/h14-15H,4-13H2,1-3H3
InChIKeyKRQLDYDSPOXUMR-UHFFFAOYSA-N
XLogP3.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

undecan-2-yl oxane-4-carboxylate
CID 177226416
[(6Z,9Z,28Z)-heptatriaconta-6,9,28-trien-19-yl] 1-methylpiperidine-4-carboxylate
CID 58069677
[(2R)-octan-2-yl] 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate
CID 18604859
1-[(E)-octadec-9-enoyl]oxypropan-2-yl 1-methylpiperidine-4-carboxylate
CID 170367318
dodecyl 1-methylpiperidine-4-carboxylate
CID 138584013
octan-2-yl (2S)-1-acetylpyrrolidine-2-carboxylate
CID 18611381
1-(3-pentyloctoxy)undecyl 1-methylpyrrolidine-3-carboxylate
CID 155620866
CID 158946872
CID 158946872
dioctan-2-yl cyclohex-4-ene-1,2-dicarboxylate
CID 69473549
dodecyl 1-methylazepane-4-carboxylate
CID 155143217
2-(9-methoxy-9-oxononyl)dodecyl 1-methylpiperidine-4-carboxylate
CID 147371942
tridecan-3-yl cyclopropanecarboxylate
CID 549494

Frequently Asked Questions

What is the IUPAC name of nonan-2-yl 1-methylpiperidine-4-carboxylate?
The IUPAC name of nonan-2-yl 1-methylpiperidine-4-carboxylate (CID 174941700) is nonan-2-yl 1-methylpiperidine-4-carboxylate.
What is the SMILES notation for nonan-2-yl 1-methylpiperidine-4-carboxylate?
The canonical SMILES for nonan-2-yl 1-methylpiperidine-4-carboxylate is CCCCCCCC(C)OC(=O)C1CCN(C)CC1.
What is the InChIKey of nonan-2-yl 1-methylpiperidine-4-carboxylate?
The InChIKey is KRQLDYDSPOXUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-4-5-6-7-8-9-14(2)19-16(18)15-10-12-17(3)13-11-15/h14-15H,4-13H2,1-3H3.
What are the key properties of nonan-2-yl 1-methylpiperidine-4-carboxylate?
nonan-2-yl 1-methylpiperidine-4-carboxylate has a molecular weight of 269.43 g/mol, XLogP of 3.62, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for nonan-2-yl 1-methylpiperidine-4-carboxylate is sourced from PubChem (CID 174941700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).