1-[(2R)-2-hydroxy-2-phenylethyl]piperidin-1-ium-4-carboxylate

C14H19NO3 — CID 7175742

IUPAC1-[(2R)-2-hydroxy-2-phenylethyl]piperidin-1-ium-4-carboxylate
SMILESO=C([O-])C1CC[NH+](C[C@H](O)c2ccccc2)CC1
InChIInChI=1S/C14H19NO3/c16-13(11-4-2-1-3-5-11)10-15-8-6-12(7-9-15)14(17)18/h1-5,12-13,16H,6-10H2,(H,17,18)/t13-/m0/s1
InChIKeyVXHJLMQSEDWIOE-ZDUSSCGKSA-N
MW249.31 g/mol
LogP-1.24
Rot. Bonds4

About 1-[(2R)-2-hydroxy-2-phenylethyl]piperidin-1-ium-4-carboxylate

1-[(2R)-2-hydroxy-2-phenylethyl]piperidin-1-ium-4-carboxylate (PubChem CID 7175742) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-[(2R)-2-hydroxy-2-phenylethyl]piperidin-1-ium-4-carboxylate.

Molecular Properties

Compound Name1-[(2R)-2-hydroxy-2-phenylethyl]piperidin-1-ium-4-carboxylate
PubChem CID7175742
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name1-[(2R)-2-hydroxy-2-phenylethyl]piperidin-1-ium-4-carboxylate
SMILESO=C([O-])C1CC[NH+](C[C@H](O)c2ccccc2)CC1
InChIInChI=1S/C14H19NO3/c16-13(11-4-2-1-3-5-11)10-15-8-6-12(7-9-15)14(17)18/h1-5,12-13,16H,6-10H2,(H,17,18)/t13-/m0/s1
InChIKeyVXHJLMQSEDWIOE-ZDUSSCGKSA-N
XLogP-1.24
TPSA64.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 5-1.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(2R)-2-hydroxy-2-phenylethyl]piperidin-1-ium-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-phenyl-2-piperidin-1-ium-1-ylethanol
CID 7354795
lithium 1-(2,2-diphenylethyl)piperidine-4-carboxylate
CID 155146392
2-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-4-ium-1-yl]phenol
CID 2428015
(1S)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-1-phenylethanol
CID 9248094
(1R)-2-(4-methyl-1,4-diazepane-1,4-diium-1-yl)-1-phenylethanol
CID 6590867
ethyl 1-[(2S)-2-phenylpropyl]piperidin-1-ium-4-carboxylate
CID 6962639
(1S)-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-1-phenylethanol
CID 9248098
(1S)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-1-phenylethanol
CID 9248196
(1R)-2-(4-benzylpiperazine-1,4-diium-1-yl)-1-(4-nitrophenyl)ethanol
CID 6952643
1-[4-(2-hydroxy-2-phenylethyl)piperazine-1,4-diium-1-yl]-3-phenoxypropan-2-ol dichloride
CID 110176964
(1S)-2-(4-benzhydrylpiperazine-1,4-diium-1-yl)-1-(4-chlorophenyl)ethanol
CID 7036635
2-cyclopentyl-1-phenylethanol
CID 15629098

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-hydroxy-2-phenylethyl]piperidin-1-ium-4-carboxylate?
The IUPAC name of 1-[(2R)-2-hydroxy-2-phenylethyl]piperidin-1-ium-4-carboxylate (CID 7175742) is 1-[(2R)-2-hydroxy-2-phenylethyl]piperidin-1-ium-4-carboxylate.
What is the SMILES notation for 1-[(2R)-2-hydroxy-2-phenylethyl]piperidin-1-ium-4-carboxylate?
The canonical SMILES for 1-[(2R)-2-hydroxy-2-phenylethyl]piperidin-1-ium-4-carboxylate is O=C([O-])C1CC[NH+](C[C@H](O)c2ccccc2)CC1.
What is the InChIKey of 1-[(2R)-2-hydroxy-2-phenylethyl]piperidin-1-ium-4-carboxylate?
The InChIKey is VXHJLMQSEDWIOE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H19NO3/c16-13(11-4-2-1-3-5-11)10-15-8-6-12(7-9-15)14(17)18/h1-5,12-13,16H,6-10H2,(H,17,18)/t13-/m0/s1.
What are the key properties of 1-[(2R)-2-hydroxy-2-phenylethyl]piperidin-1-ium-4-carboxylate?
1-[(2R)-2-hydroxy-2-phenylethyl]piperidin-1-ium-4-carboxylate has a molecular weight of 249.31 g/mol, XLogP of -1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-hydroxy-2-phenylethyl]piperidin-1-ium-4-carboxylate is sourced from PubChem (CID 7175742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).