1-ethyl-4-(methylamino)piperidine-4-carboxylic acid

C9H18N2O2 — CID 43753645

IUPAC1-ethyl-4-(methylamino)piperidine-4-carboxylic acid
SMILESCCN1CCC(NC)(C(=O)O)CC1
InChIInChI=1S/C9H18N2O2/c1-3-11-6-4-9(10-2,5-7-11)8(12)13/h10H,3-7H2,1-2H3,(H,12,13)
InChIKeyXJRZLAVLDPXFLR-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.14
Rot. Bonds3

About 1-ethyl-4-(methylamino)piperidine-4-carboxylic acid

1-ethyl-4-(methylamino)piperidine-4-carboxylic acid (PubChem CID 43753645) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-ethyl-4-(methylamino)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-4-(methylamino)piperidine-4-carboxylic acid
PubChem CID43753645
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name1-ethyl-4-(methylamino)piperidine-4-carboxylic acid
SMILESCCN1CCC(NC)(C(=O)O)CC1
InChIInChI=1S/C9H18N2O2/c1-3-11-6-4-9(10-2,5-7-11)8(12)13/h10H,3-7H2,1-2H3,(H,12,13)
InChIKeyXJRZLAVLDPXFLR-UHFFFAOYSA-N
XLogP0.14
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-4-(methylamino)azepane-4-carboxylic acid
CID 65075798
1-ethyl-4-(propan-2-ylamino)piperidine-4-carboxylic acid
CID 43754265
1-ethyl-4-(propan-2-ylamino)azepane-4-carboxylic acid
CID 65075898
4-(cyclopentylamino)-1-ethylpiperidine-4-carboxylic acid
CID 54894276
3-(4-ethylpiperazin-1-yl)-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79649771
1-[3-(dimethylamino)propyl]-4-(methylamino)piperidine-4-carboxylic acid
CID 117011947
1-ethyl-4-fluoropiperidine-4-carboxylic acid;hydrochloride
CID 90079651
4-(aminomethyl)-1-ethylpiperidine-4-carboxylic acid
CID 83907010
4-(3-bromoanilino)-1-ethylpiperidine-4-carboxylic acid
CID 54890731
3-[(1-ethylpiperidin-4-yl)-methylamino]-1-(methylamino)cyclohexane-1-carboxylic acid
CID 79627505
1,3,5-tris(methylamino)cyclohexane-1,3,5-tricarboxylic acid
CID 174766010
methyl 4-(methylamino)-1-propylpiperidine-4-carboxylate
CID 60787071

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(methylamino)piperidine-4-carboxylic acid?
The IUPAC name of 1-ethyl-4-(methylamino)piperidine-4-carboxylic acid (CID 43753645) is 1-ethyl-4-(methylamino)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-ethyl-4-(methylamino)piperidine-4-carboxylic acid?
The canonical SMILES for 1-ethyl-4-(methylamino)piperidine-4-carboxylic acid is CCN1CCC(NC)(C(=O)O)CC1.
What is the InChIKey of 1-ethyl-4-(methylamino)piperidine-4-carboxylic acid?
The InChIKey is XJRZLAVLDPXFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-3-11-6-4-9(10-2,5-7-11)8(12)13/h10H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 1-ethyl-4-(methylamino)piperidine-4-carboxylic acid?
1-ethyl-4-(methylamino)piperidine-4-carboxylic acid has a molecular weight of 186.25 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(methylamino)piperidine-4-carboxylic acid is sourced from PubChem (CID 43753645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).