benzyl 2-(4-hydroxy-2-methylpiperidin-1-yl)acetate

C15H21NO3 — CID 167142775

IUPACbenzyl 2-(4-hydroxy-2-methylpiperidin-1-yl)acetate
SMILESCC1CC(O)CCN1CC(=O)OCc1ccccc1
InChIInChI=1S/C15H21NO3/c1-12-9-14(17)7-8-16(12)10-15(18)19-11-13-5-3-2-4-6-13/h2-6,12,14,17H,7-11H2,1H3
InChIKeyUTOYCQAMBWZXAP-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.58
Rot. Bonds4

About benzyl 2-(4-hydroxy-2-methylpiperidin-1-yl)acetate

benzyl 2-(4-hydroxy-2-methylpiperidin-1-yl)acetate (PubChem CID 167142775) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is benzyl 2-(4-hydroxy-2-methylpiperidin-1-yl)acetate.

Molecular Properties

Compound Namebenzyl 2-(4-hydroxy-2-methylpiperidin-1-yl)acetate
PubChem CID167142775
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namebenzyl 2-(4-hydroxy-2-methylpiperidin-1-yl)acetate
SMILESCC1CC(O)CCN1CC(=O)OCc1ccccc1
InChIInChI=1S/C15H21NO3/c1-12-9-14(17)7-8-16(12)10-15(18)19-11-13-5-3-2-4-6-13/h2-6,12,14,17H,7-11H2,1H3
InChIKeyUTOYCQAMBWZXAP-UHFFFAOYSA-N
XLogP1.58
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-(4-hydroxy-2-methylpiperidin-1-yl)acetate?
The IUPAC name of benzyl 2-(4-hydroxy-2-methylpiperidin-1-yl)acetate (CID 167142775) is benzyl 2-(4-hydroxy-2-methylpiperidin-1-yl)acetate.
What is the SMILES notation for benzyl 2-(4-hydroxy-2-methylpiperidin-1-yl)acetate?
The canonical SMILES for benzyl 2-(4-hydroxy-2-methylpiperidin-1-yl)acetate is CC1CC(O)CCN1CC(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-(4-hydroxy-2-methylpiperidin-1-yl)acetate?
The InChIKey is UTOYCQAMBWZXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-12-9-14(17)7-8-16(12)10-15(18)19-11-13-5-3-2-4-6-13/h2-6,12,14,17H,7-11H2,1H3.
What are the key properties of benzyl 2-(4-hydroxy-2-methylpiperidin-1-yl)acetate?
benzyl 2-(4-hydroxy-2-methylpiperidin-1-yl)acetate has a molecular weight of 263.34 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(4-hydroxy-2-methylpiperidin-1-yl)acetate is sourced from PubChem (CID 167142775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).