benzyl 2-(4-hydroxypiperidin-4-yl)propanoate

C15H21NO3 — CID 135317783

IUPACbenzyl 2-(4-hydroxypiperidin-4-yl)propanoate
SMILESCC(C(=O)OCc1ccccc1)C1(O)CCNCC1
InChIInChI=1S/C15H21NO3/c1-12(15(18)7-9-16-10-8-15)14(17)19-11-13-5-3-2-4-6-13/h2-6,12,16,18H,7-11H2,1H3
InChIKeyUTEVTHUVYKBWAA-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.48
Rot. Bonds4

About benzyl 2-(4-hydroxypiperidin-4-yl)propanoate

benzyl 2-(4-hydroxypiperidin-4-yl)propanoate (PubChem CID 135317783) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is benzyl 2-(4-hydroxypiperidin-4-yl)propanoate.

Molecular Properties

Compound Namebenzyl 2-(4-hydroxypiperidin-4-yl)propanoate
PubChem CID135317783
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namebenzyl 2-(4-hydroxypiperidin-4-yl)propanoate
SMILESCC(C(=O)OCc1ccccc1)C1(O)CCNCC1
InChIInChI=1S/C15H21NO3/c1-12(15(18)7-9-16-10-8-15)14(17)19-11-13-5-3-2-4-6-13/h2-6,12,16,18H,7-11H2,1H3
InChIKeyUTEVTHUVYKBWAA-UHFFFAOYSA-N
XLogP1.48
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 2-amino-2-(4-methylpiperidin-4-yl)acetate
CID 174415897
benzyl 2-hydroxy-2-(1-hydroxycyclopropyl)acetate
CID 130367556
4-(2-oxo-2-phenylmethoxyethyl)piperidine-4-carboxylic acid
CID 174550650
benzyl (2S)-2-aminopropanoate
CID 726858
benzyl 6-azaspiro[2.5]octane-2-carboxylate
CID 163299046
benzyl 3-ethylpyrrolidine-3-carboxylate
CID 63145292
benzyl 4-hydroxy-4-methylpiperidine-1-carboxylate;methane;methanol;4-methylpiperidin-4-ol
CID 160875015
methyl 4-(phenylmethoxycarbonylaminomethyl)piperidine-4-carboxylate
CID 131866293
benzyl N-[[(4R)-4-hydroxyazepan-4-yl]methyl]carbamate
CID 125117285
benzyl (2S)-2-cyclopropylpropanoate
CID 59779045
benzyl 1-[(1S)-1-hydroxyethyl]cyclopropane-1-carboxylate
CID 171991539
benzyl 4-(4-phenylphenyl)piperidine-4-carboxylate
CID 52949668

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(4-hydroxypiperidin-4-yl)propanoate?
The IUPAC name of benzyl 2-(4-hydroxypiperidin-4-yl)propanoate (CID 135317783) is benzyl 2-(4-hydroxypiperidin-4-yl)propanoate.
What is the SMILES notation for benzyl 2-(4-hydroxypiperidin-4-yl)propanoate?
The canonical SMILES for benzyl 2-(4-hydroxypiperidin-4-yl)propanoate is CC(C(=O)OCc1ccccc1)C1(O)CCNCC1.
What is the InChIKey of benzyl 2-(4-hydroxypiperidin-4-yl)propanoate?
The InChIKey is UTEVTHUVYKBWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-12(15(18)7-9-16-10-8-15)14(17)19-11-13-5-3-2-4-6-13/h2-6,12,16,18H,7-11H2,1H3.
What are the key properties of benzyl 2-(4-hydroxypiperidin-4-yl)propanoate?
benzyl 2-(4-hydroxypiperidin-4-yl)propanoate has a molecular weight of 263.34 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(4-hydroxypiperidin-4-yl)propanoate is sourced from PubChem (CID 135317783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).