2-piperidin-1-ylethyl 2-hydroxybenzoate

C14H19NO3 — CID 12633972

IUPAC2-piperidin-1-ylethyl 2-hydroxybenzoate
SMILESO=C(OCCN1CCCCC1)c1ccccc1O
InChIInChI=1S/C14H19NO3/c16-13-7-3-2-6-12(13)14(17)18-11-10-15-8-4-1-5-9-15/h2-3,6-7,16H,1,4-5,8-11H2
InChIKeyRWTDJPMRNCSFGF-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.03
Rot. Bonds4

About 2-piperidin-1-ylethyl 2-hydroxybenzoate

2-piperidin-1-ylethyl 2-hydroxybenzoate (PubChem CID 12633972) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-piperidin-1-ylethyl 2-hydroxybenzoate.

Molecular Properties

Compound Name2-piperidin-1-ylethyl 2-hydroxybenzoate
PubChem CID12633972
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-piperidin-1-ylethyl 2-hydroxybenzoate
SMILESO=C(OCCN1CCCCC1)c1ccccc1O
InChIInChI=1S/C14H19NO3/c16-13-7-3-2-6-12(13)14(17)18-11-10-15-8-4-1-5-9-15/h2-3,6-7,16H,1,4-5,8-11H2
InChIKeyRWTDJPMRNCSFGF-UHFFFAOYSA-N
XLogP2.03
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-piperidin-1-ylethyl 2-chlorobenzoate;hydrochloride
CID 6602660
2-piperidin-1-ylethyl 2-methylbenzoate;hydrochloride
CID 13478099
2-pyrrolidin-1-ylethyl 3-amino-2-methylbenzoate
CID 107913340
2-pyrrolidin-1-ylethyl 2-phenyl-1-benzofuran-7-carboxylate;hydrochloride
CID 14229736
oxalic acid;3-piperidin-1-ylpropyl 2,4-dihydroxybenzoate
CID 18530446
2-piperidin-1-ylethyl 4-fluorobenzoate
CID 755786
1,2-bis[2-[2-(azocan-1-yl)ethoxy]phenyl]ethane-1,2-dione
CID 21486308
2-piperidin-1-ylethyl 4-bromobenzoate
CID 755742
2-pyrrolidin-1-ylethyl 4-aminobenzoate
CID 10243125
2-fluoroethyl 2-hydroxybenzoate
CID 158044446
2-chloroethyl 2-hydroxybenzoate
CID 13052757
3-(2-methylpiperidin-1-yl)propyl 2-hydroxybenzoate;hydrochloride
CID 3051416

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylethyl 2-hydroxybenzoate?
The IUPAC name of 2-piperidin-1-ylethyl 2-hydroxybenzoate (CID 12633972) is 2-piperidin-1-ylethyl 2-hydroxybenzoate.
What is the SMILES notation for 2-piperidin-1-ylethyl 2-hydroxybenzoate?
The canonical SMILES for 2-piperidin-1-ylethyl 2-hydroxybenzoate is O=C(OCCN1CCCCC1)c1ccccc1O.
What is the InChIKey of 2-piperidin-1-ylethyl 2-hydroxybenzoate?
The InChIKey is RWTDJPMRNCSFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c16-13-7-3-2-6-12(13)14(17)18-11-10-15-8-4-1-5-9-15/h2-3,6-7,16H,1,4-5,8-11H2.
What are the key properties of 2-piperidin-1-ylethyl 2-hydroxybenzoate?
2-piperidin-1-ylethyl 2-hydroxybenzoate has a molecular weight of 249.31 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylethyl 2-hydroxybenzoate is sourced from PubChem (CID 12633972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).