3-amino-4-phenylpiperidine-1-carboxylic acid

C12H16N2O2 — CID 77267907

IUPAC3-amino-4-phenylpiperidine-1-carboxylic acid
SMILESNC1CN(C(=O)O)CCC1c1ccccc1
InChIInChI=1S/C12H16N2O2/c13-11-8-14(12(15)16)7-6-10(11)9-4-2-1-3-5-9/h1-5,10-11H,6-8,13H2,(H,15,16)
InChIKeyMHRIGZXZSVXDNT-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.48
Rot. Bonds1

About 3-amino-4-phenylpiperidine-1-carboxylic acid

3-amino-4-phenylpiperidine-1-carboxylic acid (PubChem CID 77267907) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 3-amino-4-phenylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-amino-4-phenylpiperidine-1-carboxylic acid
PubChem CID77267907
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name3-amino-4-phenylpiperidine-1-carboxylic acid
SMILESNC1CN(C(=O)O)CCC1c1ccccc1
InChIInChI=1S/C12H16N2O2/c13-11-8-14(12(15)16)7-6-10(11)9-4-2-1-3-5-9/h1-5,10-11H,6-8,13H2,(H,15,16)
InChIKeyMHRIGZXZSVXDNT-UHFFFAOYSA-N
XLogP1.48
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4S)-4-amino-3-phenylpiperidine-1-carboxylic acid
CID 134278909
1-(3-amino-4-phenylpiperidin-1-yl)butan-1-one
CID 165440593
2-(3-amino-4-phenylpiperidin-1-yl)acetic acid
CID 174681284
(3R,4S)-3-amino-4-benzylpiperidine-1-carboxylic acid
CID 67546893
(3R,4R)-4-amino-3-(4-methylphenyl)piperidine-1-carboxylic acid
CID 87627459
3-amino-1-(3-ethyl-4-phenylpiperidin-1-yl)-2-methylbutan-1-one
CID 120502202
3-(hydroxymethyl)-4-(4-hydroxyphenyl)piperidine-1-carboxylic acid
CID 141028358
3-[3-amino-1-(2-bromoacetyl)piperidin-4-yl]benzoic acid
CID 165440997
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 120746591
[(3R,4S)-3-amino-4-phenylpyrrolidin-1-yl]-(4-hydroxycyclohexyl)methanone
CID 72875520
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(7-bicyclo[4.1.0]heptanyl)methanone
CID 120750246
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(1-ethylsulfonylpiperidin-4-yl)methanone
CID 120748068

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-phenylpiperidine-1-carboxylic acid?
The IUPAC name of 3-amino-4-phenylpiperidine-1-carboxylic acid (CID 77267907) is 3-amino-4-phenylpiperidine-1-carboxylic acid.
What is the SMILES notation for 3-amino-4-phenylpiperidine-1-carboxylic acid?
The canonical SMILES for 3-amino-4-phenylpiperidine-1-carboxylic acid is NC1CN(C(=O)O)CCC1c1ccccc1.
What is the InChIKey of 3-amino-4-phenylpiperidine-1-carboxylic acid?
The InChIKey is MHRIGZXZSVXDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c13-11-8-14(12(15)16)7-6-10(11)9-4-2-1-3-5-9/h1-5,10-11H,6-8,13H2,(H,15,16).
What are the key properties of 3-amino-4-phenylpiperidine-1-carboxylic acid?
3-amino-4-phenylpiperidine-1-carboxylic acid has a molecular weight of 220.27 g/mol, XLogP of 1.48, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-phenylpiperidine-1-carboxylic acid is sourced from PubChem (CID 77267907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).