pentyl 3-propylpiperidine-3-carboxylate

C14H27NO2 — CID 55166073

IUPACpentyl 3-propylpiperidine-3-carboxylate
SMILESCCCCCOC(=O)C1(CCC)CCCNC1
InChIInChI=1S/C14H27NO2/c1-3-5-6-11-17-13(16)14(8-4-2)9-7-10-15-12-14/h15H,3-12H2,1-2H3
InChIKeyATKPVOCXDUMQMB-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.89
Rot. Bonds7

About pentyl 3-propylpiperidine-3-carboxylate

pentyl 3-propylpiperidine-3-carboxylate (PubChem CID 55166073) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is pentyl 3-propylpiperidine-3-carboxylate.

Molecular Properties

Compound Namepentyl 3-propylpiperidine-3-carboxylate
PubChem CID55166073
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Namepentyl 3-propylpiperidine-3-carboxylate
SMILESCCCCCOC(=O)C1(CCC)CCCNC1
InChIInChI=1S/C14H27NO2/c1-3-5-6-11-17-13(16)14(8-4-2)9-7-10-15-12-14/h15H,3-12H2,1-2H3
InChIKeyATKPVOCXDUMQMB-UHFFFAOYSA-N
XLogP2.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,3-dimethylbutyl 3-propylpiperidine-3-carboxylate
CID 66225091
3-phenylpropyl 3-propylpiperidine-3-carboxylate
CID 63138075
methyl 3-propylpiperidine-3-carboxylate
CID 56773807
2-(2-methylpropoxy)ethyl 3-propylpiperidine-3-carboxylate
CID 106448068
2-ethylhexyl 3-propylpiperidine-3-carboxylate
CID 63540459
heptyl 1-heptylcyclohexane-1-carboxylate
CID 118023619
1-(3-propylpiperidin-3-yl)heptan-1-one
CID 116569742
octyl 1-(aminomethyl)cyclopentane-1-carboxylate
CID 113309277
hexyl 1-(aminomethyl)cyclopentane-1-carboxylate
CID 115433864
3-phenylpropyl 3-propylpyrrolidine-3-carboxylate
CID 63145986
2-ethoxyethyl 3-ethylpiperidine-3-carboxylate
CID 63137981
2-propoxy-1-(3-propylpiperidin-3-yl)ethanone
CID 116569758

Frequently Asked Questions

What is the IUPAC name of pentyl 3-propylpiperidine-3-carboxylate?
The IUPAC name of pentyl 3-propylpiperidine-3-carboxylate (CID 55166073) is pentyl 3-propylpiperidine-3-carboxylate.
What is the SMILES notation for pentyl 3-propylpiperidine-3-carboxylate?
The canonical SMILES for pentyl 3-propylpiperidine-3-carboxylate is CCCCCOC(=O)C1(CCC)CCCNC1.
What is the InChIKey of pentyl 3-propylpiperidine-3-carboxylate?
The InChIKey is ATKPVOCXDUMQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-3-5-6-11-17-13(16)14(8-4-2)9-7-10-15-12-14/h15H,3-12H2,1-2H3.
What are the key properties of pentyl 3-propylpiperidine-3-carboxylate?
pentyl 3-propylpiperidine-3-carboxylate has a molecular weight of 241.37 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl 3-propylpiperidine-3-carboxylate is sourced from PubChem (CID 55166073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).