4-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]benzoic acid

C15H21NO3 — CID 106836390

IUPAC4-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]benzoic acid
SMILESCC(O)C1CCN(Cc2ccc(C(=O)O)cc2)CC1
InChIInChI=1S/C15H21NO3/c1-11(17)13-6-8-16(9-7-13)10-12-2-4-14(5-3-12)15(18)19/h2-5,11,13,17H,6-10H2,1H3,(H,18,19)
InChIKeyKGFLAPHFKLISMV-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.98
Rot. Bonds4

About 4-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]benzoic acid

4-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]benzoic acid (PubChem CID 106836390) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]benzoic acid
PubChem CID106836390
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name4-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]benzoic acid
SMILESCC(O)C1CCN(Cc2ccc(C(=O)O)cc2)CC1
InChIInChI=1S/C15H21NO3/c1-11(17)13-6-8-16(9-7-13)10-12-2-4-14(5-3-12)15(18)19/h2-5,11,13,17H,6-10H2,1H3,(H,18,19)
InChIKeyKGFLAPHFKLISMV-UHFFFAOYSA-N
XLogP1.98
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-propan-2-ylpiperidin-1-yl)methyl]benzoic acid
CID 103498140
1-[1-[(4-bromophenyl)methyl]piperidin-4-yl]ethanol
CID 103657050
1-(4-ethylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone
CID 106836545
(1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanol
CID 96766487
4-[4-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]phenyl]but-3-yn-1-ol
CID 106837442
4-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoic acid
CID 46772046
4-[(4-phenylpiperidin-1-yl)methyl]benzoic acid;hydrochloride
CID 146018012
4-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]benzoic acid
CID 90269710
ethane;4-[(4-methylpiperazin-1-yl)methyl]benzoic acid
CID 143662062
4-[(4-butylpiperazin-1-yl)methyl]benzoic acid
CID 20795311
(2R)-2-hydroxy-2-[1-[[4-(hydroxymethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 129490248
methyl 2-fluoro-4-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]benzoate
CID 103749428

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]benzoic acid?
The IUPAC name of 4-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]benzoic acid (CID 106836390) is 4-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]benzoic acid.
What is the SMILES notation for 4-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]benzoic acid?
The canonical SMILES for 4-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]benzoic acid is CC(O)C1CCN(Cc2ccc(C(=O)O)cc2)CC1.
What is the InChIKey of 4-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]benzoic acid?
The InChIKey is KGFLAPHFKLISMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11(17)13-6-8-16(9-7-13)10-12-2-4-14(5-3-12)15(18)19/h2-5,11,13,17H,6-10H2,1H3,(H,18,19).
What are the key properties of 4-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]benzoic acid?
4-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]benzoic acid has a molecular weight of 263.34 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]benzoic acid is sourced from PubChem (CID 106836390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).