(3R,4R)-4-amino-3-(4-methylphenyl)piperidine-1-carboxylic acid

C13H18N2O2 — CID 87627459

IUPAC(3R,4R)-4-amino-3-(4-methylphenyl)piperidine-1-carboxylic acid
SMILESCc1ccc([C@@H]2CN(C(=O)O)CC[C@H]2N)cc1
InChIInChI=1S/C13H18N2O2/c1-9-2-4-10(5-3-9)11-8-15(13(16)17)7-6-12(11)14/h2-5,11-12H,6-8,14H2,1H3,(H,16,17)/t11-,12+/m0/s1
InChIKeyHQFYVCLTLVMDHJ-NWDGAFQWSA-N
MW234.30 g/mol
LogP1.79
Rot. Bonds1

About (3R,4R)-4-amino-3-(4-methylphenyl)piperidine-1-carboxylic acid

(3R,4R)-4-amino-3-(4-methylphenyl)piperidine-1-carboxylic acid (PubChem CID 87627459) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (3R,4R)-4-amino-3-(4-methylphenyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name(3R,4R)-4-amino-3-(4-methylphenyl)piperidine-1-carboxylic acid
PubChem CID87627459
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(3R,4R)-4-amino-3-(4-methylphenyl)piperidine-1-carboxylic acid
SMILESCc1ccc([C@@H]2CN(C(=O)O)CC[C@H]2N)cc1
InChIInChI=1S/C13H18N2O2/c1-9-2-4-10(5-3-9)11-8-15(13(16)17)7-6-12(11)14/h2-5,11-12H,6-8,14H2,1H3,(H,16,17)/t11-,12+/m0/s1
InChIKeyHQFYVCLTLVMDHJ-NWDGAFQWSA-N
XLogP1.79
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-3-(4-methylphenyl)piperidine-1-carboxylic acid;4-methylbenzenesulfonic acid
CID 87627456
(3S,4S)-4-amino-3-phenylpiperidine-1-carboxylic acid
CID 134278909
3-amino-4-phenylpiperidine-1-carboxylic acid
CID 77267907
tert-butyl (3R,4S)-4-amino-3-(4-fluorophenyl)piperidine-1-carboxylate
CID 58356142
butyl 4-amino-3-phenylpiperidine-1-carboxylate
CID 155601155
(3S,4S)-4-amino-3-methylpiperidine-1-carboxylic acid
CID 146402119
N-[2-[(3R,4S)-4-amino-3-phenylpiperidin-1-yl]-2-oxoethyl]acetamide;methane;sulfane
CID 158027672
4-amino-3-ethylpiperidine-1-carboxylic acid
CID 90001260
2-[4-(4-methylphenyl)piperidin-1-yl]-2-oxoacetic acid
CID 82130864
3-(hydroxymethyl)-4-(4-hydroxyphenyl)piperidine-1-carboxylic acid
CID 141028358
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone;hydrochloride
CID 120746950
(3S,4R)-1-methyl-4-(4-methylphenyl)pyrrolidine-3-carboxylic acid
CID 124669579

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-amino-3-(4-methylphenyl)piperidine-1-carboxylic acid?
The IUPAC name of (3R,4R)-4-amino-3-(4-methylphenyl)piperidine-1-carboxylic acid (CID 87627459) is (3R,4R)-4-amino-3-(4-methylphenyl)piperidine-1-carboxylic acid.
What is the SMILES notation for (3R,4R)-4-amino-3-(4-methylphenyl)piperidine-1-carboxylic acid?
The canonical SMILES for (3R,4R)-4-amino-3-(4-methylphenyl)piperidine-1-carboxylic acid is Cc1ccc([C@@H]2CN(C(=O)O)CC[C@H]2N)cc1.
What is the InChIKey of (3R,4R)-4-amino-3-(4-methylphenyl)piperidine-1-carboxylic acid?
The InChIKey is HQFYVCLTLVMDHJ-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-2-4-10(5-3-9)11-8-15(13(16)17)7-6-12(11)14/h2-5,11-12H,6-8,14H2,1H3,(H,16,17)/t11-,12+/m0/s1.
What are the key properties of (3R,4R)-4-amino-3-(4-methylphenyl)piperidine-1-carboxylic acid?
(3R,4R)-4-amino-3-(4-methylphenyl)piperidine-1-carboxylic acid has a molecular weight of 234.30 g/mol, XLogP of 1.79, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-amino-3-(4-methylphenyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 87627459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).