1-benzyl-3-(methylamino)piperidine-3-carboxylic acid

C14H20N2O2 — CID 43753689

IUPAC1-benzyl-3-(methylamino)piperidine-3-carboxylic acid
SMILESCNC1(C(=O)O)CCCN(Cc2ccccc2)C1
InChIInChI=1S/C14H20N2O2/c1-15-14(13(17)18)8-5-9-16(11-14)10-12-6-3-2-4-7-12/h2-4,6-7,15H,5,8-11H2,1H3,(H,17,18)
InChIKeyJTHSFCMHPDWXKJ-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.33
Rot. Bonds4

About 1-benzyl-3-(methylamino)piperidine-3-carboxylic acid

1-benzyl-3-(methylamino)piperidine-3-carboxylic acid (PubChem CID 43753689) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-benzyl-3-(methylamino)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-benzyl-3-(methylamino)piperidine-3-carboxylic acid
PubChem CID43753689
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-benzyl-3-(methylamino)piperidine-3-carboxylic acid
SMILESCNC1(C(=O)O)CCCN(Cc2ccccc2)C1
InChIInChI=1S/C14H20N2O2/c1-15-14(13(17)18)8-5-9-16(11-14)10-12-6-3-2-4-7-12/h2-4,6-7,15H,5,8-11H2,1H3,(H,17,18)
InChIKeyJTHSFCMHPDWXKJ-UHFFFAOYSA-N
XLogP1.33
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-hydroxypiperidine-3-carboxylic acid;methane;methyl 1-benzyl-3-hydroxypiperidine-3-carboxylate
CID 158643685
1-benzyl-3-methylpiperidin-3-ol
CID 15283107
3-amino-1-benzylpiperidine-3-carboxamide
CID 60795458
1-benzyl-3-fluoro-3-methylpiperidine
CID 136545779
(3S)-1-benzyl-3-bromo-3-methylpiperidine
CID 97176093
(3S)-1-benzyl-3-methylpiperidine-3-thiol
CID 97176105
sodium 1-benzyl-3-hydroxypiperidine-3-sulfonate
CID 103574532
[(3S)-3-amino-1-benzylpiperidin-3-yl]methanol
CID 51892328
1-benzyl-4-(butan-2-ylamino)piperidine-4-carboxylic acid
CID 61024423
(4R,5S)-7-benzyl-7-azaspiro[4.5]decane-4-carboxylic acid
CID 15517982
3-anilino-N,N-dimethyl-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 155879167
methyl 3-(1,3-benzothiazol-2-ylmethylamino)-1-benzylpiperidine-3-carboxylate
CID 75397231

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(methylamino)piperidine-3-carboxylic acid?
The IUPAC name of 1-benzyl-3-(methylamino)piperidine-3-carboxylic acid (CID 43753689) is 1-benzyl-3-(methylamino)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-benzyl-3-(methylamino)piperidine-3-carboxylic acid?
The canonical SMILES for 1-benzyl-3-(methylamino)piperidine-3-carboxylic acid is CNC1(C(=O)O)CCCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-3-(methylamino)piperidine-3-carboxylic acid?
The InChIKey is JTHSFCMHPDWXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-15-14(13(17)18)8-5-9-16(11-14)10-12-6-3-2-4-7-12/h2-4,6-7,15H,5,8-11H2,1H3,(H,17,18).
What are the key properties of 1-benzyl-3-(methylamino)piperidine-3-carboxylic acid?
1-benzyl-3-(methylamino)piperidine-3-carboxylic acid has a molecular weight of 248.33 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(methylamino)piperidine-3-carboxylic acid is sourced from PubChem (CID 43753689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).