4-(benzylamino)-3-ethylpiperidine-4-carboxylic acid

C15H22N2O2 — CID 114509068

IUPAC4-(benzylamino)-3-ethylpiperidine-4-carboxylic acid
SMILESCCC1CNCCC1(NCc1ccccc1)C(=O)O
InChIInChI=1S/C15H22N2O2/c1-2-13-11-16-9-8-15(13,14(18)19)17-10-12-6-4-3-5-7-12/h3-7,13,16-17H,2,8-11H2,1H3,(H,18,19)
InChIKeyNFPVCIBMIXATEQ-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.62
Rot. Bonds5

About 4-(benzylamino)-3-ethylpiperidine-4-carboxylic acid

4-(benzylamino)-3-ethylpiperidine-4-carboxylic acid (PubChem CID 114509068) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-(benzylamino)-3-ethylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(benzylamino)-3-ethylpiperidine-4-carboxylic acid
PubChem CID114509068
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4-(benzylamino)-3-ethylpiperidine-4-carboxylic acid
SMILESCCC1CNCCC1(NCc1ccccc1)C(=O)O
InChIInChI=1S/C15H22N2O2/c1-2-13-11-16-9-8-15(13,14(18)19)17-10-12-6-4-3-5-7-12/h3-7,13,16-17H,2,8-11H2,1H3,(H,18,19)
InChIKeyNFPVCIBMIXATEQ-UHFFFAOYSA-N
XLogP1.62
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-chloroanilino)-3-ethylpiperidine-4-carboxylic acid
CID 114509081
4-(benzylamino)-3-[4-(ethylsulfonylamino)pyrimidin-2-yl]piperidine-4-carboxylic acid
CID 142669531
1-(benzylamino)-2-methylcyclopentane-1-carboxylic acid
CID 65045391
ethyl 3-ethyl-4-(thiophen-2-ylmethylamino)piperidine-4-carboxylate
CID 114509125
1-(benzylamino)cyclobutane-1,2-dicarboxylic acid
CID 18971293
trans-(1S,2R)-1-(benzylamino)-2-phenylcyclopropane-1-carboxylic acid
CID 89498617
4-benzyl-3,4-diethylpiperidine
CID 79312303
3-ethyl-4-(methylamino)piperidine-4-carboxamide
CID 114508060
ethyl 3-ethyl-4-(4-methylanilino)piperidine-4-carboxylate
CID 114509075
1-(benzylamino)-2-methylcyclopentane-1-carboxamide
CID 65045227
ethyl 3-ethyl-4-(3-fluoroanilino)piperidine-4-carboxylate
CID 114509111
3-benzyl-4,4-difluoropiperidine
CID 84678460

Frequently Asked Questions

What is the IUPAC name of 4-(benzylamino)-3-ethylpiperidine-4-carboxylic acid?
The IUPAC name of 4-(benzylamino)-3-ethylpiperidine-4-carboxylic acid (CID 114509068) is 4-(benzylamino)-3-ethylpiperidine-4-carboxylic acid.
What is the SMILES notation for 4-(benzylamino)-3-ethylpiperidine-4-carboxylic acid?
The canonical SMILES for 4-(benzylamino)-3-ethylpiperidine-4-carboxylic acid is CCC1CNCCC1(NCc1ccccc1)C(=O)O.
What is the InChIKey of 4-(benzylamino)-3-ethylpiperidine-4-carboxylic acid?
The InChIKey is NFPVCIBMIXATEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-2-13-11-16-9-8-15(13,14(18)19)17-10-12-6-4-3-5-7-12/h3-7,13,16-17H,2,8-11H2,1H3,(H,18,19).
What are the key properties of 4-(benzylamino)-3-ethylpiperidine-4-carboxylic acid?
4-(benzylamino)-3-ethylpiperidine-4-carboxylic acid has a molecular weight of 262.35 g/mol, XLogP of 1.62, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylamino)-3-ethylpiperidine-4-carboxylic acid is sourced from PubChem (CID 114509068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).