piperidin-3-ylmethyl benzoate

C13H17NO2 — CID 53409803

IUPACpiperidin-3-ylmethyl benzoate
SMILESO=C(OCC1CCCNC1)c1ccccc1
InChIInChI=1S/C13H17NO2/c15-13(12-6-2-1-3-7-12)16-10-11-5-4-8-14-9-11/h1-3,6-7,11,14H,4-5,8-10H2
InChIKeyVZGXINACTBQWDZ-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.84
Rot. Bonds3

About piperidin-3-ylmethyl benzoate

piperidin-3-ylmethyl benzoate (PubChem CID 53409803) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is piperidin-3-ylmethyl benzoate.

Molecular Properties

Compound Namepiperidin-3-ylmethyl benzoate
PubChem CID53409803
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Namepiperidin-3-ylmethyl benzoate
SMILESO=C(OCC1CCCNC1)c1ccccc1
InChIInChI=1S/C13H17NO2/c15-13(12-6-2-1-3-7-12)16-10-11-5-4-8-14-9-11/h1-3,6-7,11,14H,4-5,8-10H2
InChIKeyVZGXINACTBQWDZ-UHFFFAOYSA-N
XLogP1.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

piperidin-3-ylmethyl N-phenylcarbamate
CID 79336996
ethyl 4-(piperidin-3-ylmethoxy)benzoate
CID 24902373
pyrrolidin-3-ylmethyl pyridine-4-carboxylate;hydrochloride
CID 53409845
(3S)-3-(phenoxymethyl)piperidine
CID 26190643
ethyl 4-(piperidin-3-ylmethoxy)benzoate;hydrochloride
CID 56830939
[(3S)-piperidin-3-yl]methyl acetate
CID 11194466
N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461032
morpholin-2-ylmethyl benzoate;hydrochloride
CID 19777235
piperidin-3-ylmethyl cyclopropanecarboxylate
CID 56829549
(3-oxocyclobutyl)methyl benzoate
CID 15531476
3-(piperidin-3-ylmethoxymethyl)benzamide
CID 62340748
phenyl-[4-[4-[[(3S)-piperidin-3-yl]methoxy]phenyl]piperazin-1-yl]methanone
CID 68700958

Frequently Asked Questions

What is the IUPAC name of piperidin-3-ylmethyl benzoate?
The IUPAC name of piperidin-3-ylmethyl benzoate (CID 53409803) is piperidin-3-ylmethyl benzoate.
What is the SMILES notation for piperidin-3-ylmethyl benzoate?
The canonical SMILES for piperidin-3-ylmethyl benzoate is O=C(OCC1CCCNC1)c1ccccc1.
What is the InChIKey of piperidin-3-ylmethyl benzoate?
The InChIKey is VZGXINACTBQWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c15-13(12-6-2-1-3-7-12)16-10-11-5-4-8-14-9-11/h1-3,6-7,11,14H,4-5,8-10H2.
What are the key properties of piperidin-3-ylmethyl benzoate?
piperidin-3-ylmethyl benzoate has a molecular weight of 219.28 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-3-ylmethyl benzoate is sourced from PubChem (CID 53409803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).