(3R,4R)-1-benzyl-4-hydroxypiperidine-3-carboxylic acid

C13H17NO3 — CID 70556270

IUPAC(3R,4R)-1-benzyl-4-hydroxypiperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CN(Cc2ccccc2)CC[C@H]1O
InChIInChI=1S/C13H17NO3/c15-12-6-7-14(9-11(12)13(16)17)8-10-4-2-1-3-5-10/h1-5,11-12,15H,6-9H2,(H,16,17)/t11-,12-/m1/s1
InChIKeyWQAZEAVMOPGLES-VXGBXAGGSA-N
MW235.28 g/mol
LogP0.95
Rot. Bonds3

About (3R,4R)-1-benzyl-4-hydroxypiperidine-3-carboxylic acid

(3R,4R)-1-benzyl-4-hydroxypiperidine-3-carboxylic acid (PubChem CID 70556270) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is (3R,4R)-1-benzyl-4-hydroxypiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4R)-1-benzyl-4-hydroxypiperidine-3-carboxylic acid
PubChem CID70556270
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name(3R,4R)-1-benzyl-4-hydroxypiperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CN(Cc2ccccc2)CC[C@H]1O
InChIInChI=1S/C13H17NO3/c15-12-6-7-14(9-11(12)13(16)17)8-10-4-2-1-3-5-10/h1-5,11-12,15H,6-9H2,(H,16,17)/t11-,12-/m1/s1
InChIKeyWQAZEAVMOPGLES-VXGBXAGGSA-N
XLogP0.95
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-5-hydroxyazepane-4-carboxylic acid
CID 83488362
sodium (3S,4R)-1-benzyl-4-hydroxypiperidine-3-carboxylate
CID 68688042
methyl (3S,4S)-1-benzyl-4-hydroxypiperidine-3-carboxylate
CID 54043157
methyl (3R,4S)-1-benzyl-4-hydroxypiperidine-3-carboxylate
CID 86328839
(3S,4R)-4-hydroxy-1-(4-phenylbutyl)piperidine-3-carboxylic acid
CID 135107489
ethyl 1-benzyl-4-hydroxypiperidine-3-carboxylate;hydrochloride
CID 165176370
1-benzyl-3-phenylpiperidine-4-carboxylic acid
CID 3345807
(3S,4R)-1-[(3-chloro-4-fluorophenyl)methyl]-4-hydroxypiperidine-3-carboxylic acid
CID 134706937
1-benzyl-3-hydroxypiperidine-4-carboxamide
CID 146447166
1-benzyl-4-(2-methylphenyl)piperidine-3-carboxylic acid
CID 23157106
(3R,4R)-4-amino-1-benzylpyrrolidine-3-carboxylic acid;hydrochloride
CID 67778714
(3S,4R)-1-benzyl-4-phenylpyrrolidine-3-carboxylic acid
CID 12922299

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-benzyl-4-hydroxypiperidine-3-carboxylic acid?
The IUPAC name of (3R,4R)-1-benzyl-4-hydroxypiperidine-3-carboxylic acid (CID 70556270) is (3R,4R)-1-benzyl-4-hydroxypiperidine-3-carboxylic acid.
What is the SMILES notation for (3R,4R)-1-benzyl-4-hydroxypiperidine-3-carboxylic acid?
The canonical SMILES for (3R,4R)-1-benzyl-4-hydroxypiperidine-3-carboxylic acid is O=C(O)[C@@H]1CN(Cc2ccccc2)CC[C@H]1O.
What is the InChIKey of (3R,4R)-1-benzyl-4-hydroxypiperidine-3-carboxylic acid?
The InChIKey is WQAZEAVMOPGLES-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H17NO3/c15-12-6-7-14(9-11(12)13(16)17)8-10-4-2-1-3-5-10/h1-5,11-12,15H,6-9H2,(H,16,17)/t11-,12-/m1/s1.
What are the key properties of (3R,4R)-1-benzyl-4-hydroxypiperidine-3-carboxylic acid?
(3R,4R)-1-benzyl-4-hydroxypiperidine-3-carboxylic acid has a molecular weight of 235.28 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-benzyl-4-hydroxypiperidine-3-carboxylic acid is sourced from PubChem (CID 70556270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).