phenyl 4-propylpiperidine-1-carboxylate

C15H21NO2 — CID 64591892

IUPACphenyl 4-propylpiperidine-1-carboxylate
SMILESCCCC1CCN(C(=O)Oc2ccccc2)CC1
InChIInChI=1S/C15H21NO2/c1-2-6-13-9-11-16(12-10-13)15(17)18-14-7-4-3-5-8-14/h3-5,7-8,13H,2,6,9-12H2,1H3
InChIKeyUPAFVHOVXSOGMY-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.70
Rot. Bonds3

About phenyl 4-propylpiperidine-1-carboxylate

phenyl 4-propylpiperidine-1-carboxylate (PubChem CID 64591892) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is phenyl 4-propylpiperidine-1-carboxylate.

Molecular Properties

Compound Namephenyl 4-propylpiperidine-1-carboxylate
PubChem CID64591892
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Namephenyl 4-propylpiperidine-1-carboxylate
SMILESCCCC1CCN(C(=O)Oc2ccccc2)CC1
InChIInChI=1S/C15H21NO2/c1-2-6-13-9-11-16(12-10-13)15(17)18-14-7-4-3-5-8-14/h3-5,7-8,13H,2,6,9-12H2,1H3
InChIKeyUPAFVHOVXSOGMY-UHFFFAOYSA-N
XLogP3.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

phenyl 4-(methoxymethyl)piperidine-1-carboxylate
CID 63999252
phenyl 3-(methoxymethyl)pyrrolidine-1-carboxylate
CID 64591522
4-O-ethyl 1-O-phenyl piperidine-1,4-dicarboxylate
CID 3851418
phenyl 4-(ethylcarbamoyl)piperidine-1-carboxylate
CID 60746156
phenyl 4-propanoylpiperazine-1-carboxylate
CID 46228295
phenyl 4-phenoxypiperidine-1-carboxylate
CID 110396730
phenyl 4-(2-oxopropoxy)piperidine-1-carboxylate
CID 89146038
phenyl 4-cyanopiperidine-1-carboxylate
CID 62077915
phenyl 3-aminopyrrolidine-1-carboxylate
CID 62067214
ethane;methyl 4-propylpiperidine-1-carboxylate
CID 145047424
tert-butyl 4-(2-phenoxyethyl)piperidine-1-carboxylate
CID 58808100
phenyl 4-tert-butylpiperazine-1-carboxylate
CID 61068784

Frequently Asked Questions

What is the IUPAC name of phenyl 4-propylpiperidine-1-carboxylate?
The IUPAC name of phenyl 4-propylpiperidine-1-carboxylate (CID 64591892) is phenyl 4-propylpiperidine-1-carboxylate.
What is the SMILES notation for phenyl 4-propylpiperidine-1-carboxylate?
The canonical SMILES for phenyl 4-propylpiperidine-1-carboxylate is CCCC1CCN(C(=O)Oc2ccccc2)CC1.
What is the InChIKey of phenyl 4-propylpiperidine-1-carboxylate?
The InChIKey is UPAFVHOVXSOGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-6-13-9-11-16(12-10-13)15(17)18-14-7-4-3-5-8-14/h3-5,7-8,13H,2,6,9-12H2,1H3.
What are the key properties of phenyl 4-propylpiperidine-1-carboxylate?
phenyl 4-propylpiperidine-1-carboxylate has a molecular weight of 247.34 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 4-propylpiperidine-1-carboxylate is sourced from PubChem (CID 64591892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).