(3R,4S)-3-amino-4-benzylpiperidine-1-carboxylic acid

C13H18N2O2 — CID 67546893

IUPAC(3R,4S)-3-amino-4-benzylpiperidine-1-carboxylic acid
SMILESN[C@H]1CN(C(=O)O)CC[C@@H]1Cc1ccccc1
InChIInChI=1S/C13H18N2O2/c14-12-9-15(13(16)17)7-6-11(12)8-10-4-2-1-3-5-10/h1-5,11-12H,6-9,14H2,(H,16,17)/t11-,12+/m1/s1
InChIKeyBVKZZVJYYXTXNL-NEPJUHHUSA-N
MW234.30 g/mol
LogP1.56
Rot. Bonds2

About (3R,4S)-3-amino-4-benzylpiperidine-1-carboxylic acid

(3R,4S)-3-amino-4-benzylpiperidine-1-carboxylic acid (PubChem CID 67546893) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (3R,4S)-3-amino-4-benzylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name(3R,4S)-3-amino-4-benzylpiperidine-1-carboxylic acid
PubChem CID67546893
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(3R,4S)-3-amino-4-benzylpiperidine-1-carboxylic acid
SMILESN[C@H]1CN(C(=O)O)CC[C@@H]1Cc1ccccc1
InChIInChI=1S/C13H18N2O2/c14-12-9-15(13(16)17)7-6-11(12)8-10-4-2-1-3-5-10/h1-5,11-12H,6-9,14H2,(H,16,17)/t11-,12+/m1/s1
InChIKeyBVKZZVJYYXTXNL-NEPJUHHUSA-N
XLogP1.56
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-4-phenylpiperidine-1-carboxylic acid
CID 77267907
benzyl 4-benzyl-3-hydroxypiperidine-1-carboxylate
CID 142093012
benzyl (3S,4R)-3-amino-4-(hydroxymethyl)piperidine-1-carboxylate
CID 155921089
(3S,4S)-4-amino-3-phenylpiperidine-1-carboxylic acid
CID 134278909
4-[(dibenzylamino)methyl]-3-hydroxypiperidine-1-carboxylic acid
CID 69055536
1-[(3S,4S)-3-benzyl-4-(cyclopropylmethoxy)piperidin-1-yl]-2-(dimethylamino)ethanone
CID 97477683
(3R)-3-[carboxymethyl(phenylmethoxycarbonyl)amino]pyrrolidine-1-carboxylic acid
CID 140554013
[(1R,2R)-2-aminocyclopentyl]-[(3S)-3-benzylpyrrolidin-1-yl]methanone
CID 124777626
2-(3-benzyl-1-methylpiperidin-4-yl)acetic acid
CID 21426503
4-amino-3-ethylpiperidine-1-carboxylic acid
CID 90001260
(2-aminocyclopentyl)-(3-benzylpyrrolidin-1-yl)methanone;hydrochloride
CID 119725013
(3R,4R)-3,4-diaminopyrrolidine-1-carboxylic acid
CID 134211031

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-amino-4-benzylpiperidine-1-carboxylic acid?
The IUPAC name of (3R,4S)-3-amino-4-benzylpiperidine-1-carboxylic acid (CID 67546893) is (3R,4S)-3-amino-4-benzylpiperidine-1-carboxylic acid.
What is the SMILES notation for (3R,4S)-3-amino-4-benzylpiperidine-1-carboxylic acid?
The canonical SMILES for (3R,4S)-3-amino-4-benzylpiperidine-1-carboxylic acid is N[C@H]1CN(C(=O)O)CC[C@@H]1Cc1ccccc1.
What is the InChIKey of (3R,4S)-3-amino-4-benzylpiperidine-1-carboxylic acid?
The InChIKey is BVKZZVJYYXTXNL-NEPJUHHUSA-N. The full InChI is InChI=1S/C13H18N2O2/c14-12-9-15(13(16)17)7-6-11(12)8-10-4-2-1-3-5-10/h1-5,11-12H,6-9,14H2,(H,16,17)/t11-,12+/m1/s1.
What are the key properties of (3R,4S)-3-amino-4-benzylpiperidine-1-carboxylic acid?
(3R,4S)-3-amino-4-benzylpiperidine-1-carboxylic acid has a molecular weight of 234.30 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-amino-4-benzylpiperidine-1-carboxylic acid is sourced from PubChem (CID 67546893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).