phenyl piperidine-3-carboxylate

C12H15NO2 — CID 13360551

IUPACphenyl piperidine-3-carboxylate
SMILESO=C(Oc1ccccc1)C1CCCNC1
InChIInChI=1S/C12H15NO2/c14-12(10-5-4-8-13-9-10)15-11-6-2-1-3-7-11/h1-3,6-7,10,13H,4-5,8-9H2
InChIKeyUCEMPXZASKHTAE-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.59
Rot. Bonds2

About phenyl piperidine-3-carboxylate

phenyl piperidine-3-carboxylate (PubChem CID 13360551) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is phenyl piperidine-3-carboxylate.

Molecular Properties

Compound Namephenyl piperidine-3-carboxylate
PubChem CID13360551
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Namephenyl piperidine-3-carboxylate
SMILESO=C(Oc1ccccc1)C1CCCNC1
InChIInChI=1S/C12H15NO2/c14-12(10-5-4-8-13-9-10)15-11-6-2-1-3-7-11/h1-3,6-7,10,13H,4-5,8-9H2
InChIKeyUCEMPXZASKHTAE-UHFFFAOYSA-N
XLogP1.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

phenyl (3S)-pyrrolidine-3-carboxylate
CID 130688527
hydron;phenyl cycloheptanecarboxylate
CID 174768034
(4-phenylphenyl) cyclopentanecarboxylate
CID 1234522
benzyl piperidine-3-carboxylate;2,2,2-trifluoroacetic acid
CID 69153815
trans-diphenyl (1R,2R)-cyclohexane-1,2-dicarboxylate
CID 15685593
methyl (3S)-piperidine-3-carboxylate;hydrochloride
CID 57345867
N-[[4-(phenoxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 119286636
N-[1-(4-phenoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119313460
N-[2-(phenoxymethyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119299182
cyclopentyl piperidine-3-carboxylate
CID 61278605
(3R)-3-phenoxypiperidine
CID 42553363
1-azabicyclo[2.2.2]octane;phenyl cyclopropanecarboxylate
CID 174407037

Frequently Asked Questions

What is the IUPAC name of phenyl piperidine-3-carboxylate?
The IUPAC name of phenyl piperidine-3-carboxylate (CID 13360551) is phenyl piperidine-3-carboxylate.
What is the SMILES notation for phenyl piperidine-3-carboxylate?
The canonical SMILES for phenyl piperidine-3-carboxylate is O=C(Oc1ccccc1)C1CCCNC1.
What is the InChIKey of phenyl piperidine-3-carboxylate?
The InChIKey is UCEMPXZASKHTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c14-12(10-5-4-8-13-9-10)15-11-6-2-1-3-7-11/h1-3,6-7,10,13H,4-5,8-9H2.
What are the key properties of phenyl piperidine-3-carboxylate?
phenyl piperidine-3-carboxylate has a molecular weight of 205.26 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl piperidine-3-carboxylate is sourced from PubChem (CID 13360551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).