piperidin-1-yl 3-hydroxybenzoate

C12H15NO3 — CID 67744425

IUPACpiperidin-1-yl 3-hydroxybenzoate
SMILESO=C(ON1CCCCC1)c1cccc(O)c1
InChIInChI=1S/C12H15NO3/c14-11-6-4-5-10(9-11)12(15)16-13-7-2-1-3-8-13/h4-6,9,14H,1-3,7-8H2
InChIKeyTTYPVNWTSZKBKJ-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.95
Rot. Bonds2

About piperidin-1-yl 3-hydroxybenzoate

piperidin-1-yl 3-hydroxybenzoate (PubChem CID 67744425) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is piperidin-1-yl 3-hydroxybenzoate.

Molecular Properties

Compound Namepiperidin-1-yl 3-hydroxybenzoate
PubChem CID67744425
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Namepiperidin-1-yl 3-hydroxybenzoate
SMILESO=C(ON1CCCCC1)c1cccc(O)c1
InChIInChI=1S/C12H15NO3/c14-11-6-4-5-10(9-11)12(15)16-13-7-2-1-3-8-13/h4-6,9,14H,1-3,7-8H2
InChIKeyTTYPVNWTSZKBKJ-UHFFFAOYSA-N
XLogP1.95
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(cyclohexylideneamino) 3-hydroxybenzoate
CID 71600482
[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 3-hydroxybenzoate
CID 7790061
3-piperidin-1-yloxyphenol
CID 70616281
cyclopentyl 3-hydroxybenzoate
CID 82096879
piperazin-1-yl 3-methylbenzoate
CID 175416876
1,2-bis(3-hydroxyphenyl)ethane-1,2-dione
CID 13158606
[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 3-hydroxybenzoate
CID 7378641
(1,1-dioxo-1,4-thiazinan-4-yl) benzoate
CID 12708317
CID 66671873
CID 66671873
CID 174830791
CID 174830791
3-hydroxybenzoic acid;hydrochloride
CID 118389750
[2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 3-hydroxybenzoate
CID 7789969

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl 3-hydroxybenzoate?
The IUPAC name of piperidin-1-yl 3-hydroxybenzoate (CID 67744425) is piperidin-1-yl 3-hydroxybenzoate.
What is the SMILES notation for piperidin-1-yl 3-hydroxybenzoate?
The canonical SMILES for piperidin-1-yl 3-hydroxybenzoate is O=C(ON1CCCCC1)c1cccc(O)c1.
What is the InChIKey of piperidin-1-yl 3-hydroxybenzoate?
The InChIKey is TTYPVNWTSZKBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c14-11-6-4-5-10(9-11)12(15)16-13-7-2-1-3-8-13/h4-6,9,14H,1-3,7-8H2.
What are the key properties of piperidin-1-yl 3-hydroxybenzoate?
piperidin-1-yl 3-hydroxybenzoate has a molecular weight of 221.26 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl 3-hydroxybenzoate is sourced from PubChem (CID 67744425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).