4-(aminomethyl)-1-ethylpiperidine-4-carboxylic acid

C9H18N2O2 — CID 83907010

IUPAC4-(aminomethyl)-1-ethylpiperidine-4-carboxylic acid
SMILESCCN1CCC(CN)(C(=O)O)CC1
InChIInChI=1S/C9H18N2O2/c1-2-11-5-3-9(7-10,4-6-11)8(12)13/h2-7,10H2,1H3,(H,12,13)
InChIKeyHYSMOKPMFRTOPX-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.13
Rot. Bonds3

About 4-(aminomethyl)-1-ethylpiperidine-4-carboxylic acid

4-(aminomethyl)-1-ethylpiperidine-4-carboxylic acid (PubChem CID 83907010) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 4-(aminomethyl)-1-ethylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(aminomethyl)-1-ethylpiperidine-4-carboxylic acid
PubChem CID83907010
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name4-(aminomethyl)-1-ethylpiperidine-4-carboxylic acid
SMILESCCN1CCC(CN)(C(=O)O)CC1
InChIInChI=1S/C9H18N2O2/c1-2-11-5-3-9(7-10,4-6-11)8(12)13/h2-7,10H2,1H3,(H,12,13)
InChIKeyHYSMOKPMFRTOPX-UHFFFAOYSA-N
XLogP0.13
TPSA66.56 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 ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-4-prop-2-enylpiperidine-4-carboxylic acid
CID 163236372
1-(aminomethyl)cyclobutane-1-carboxylic acid
CID 23405971
1-ethyl-4-(methylamino)piperidine-4-carboxylic acid
CID 43753645
1-ethyl-4-fluoropiperidine-4-carboxylic acid;hydrochloride
CID 90079651
4-(diethylamino)-1-ethylpiperidine-4-carboxylic acid
CID 43803639
1-[2-(aminomethyl)-3-methylbutanoyl]-4-ethylpiperidine-4-carboxylic acid
CID 65228007
1-(4-ethylpiperazine-1-carbonyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63145616
4-(aminomethyl)-1-pyridin-4-ylpiperidine-4-carboxylic acid
CID 18536528
1-ethyl-4-(propan-2-ylamino)piperidine-4-carboxylic acid
CID 43754265
1-ethyl-4-(methylamino)azepane-4-carboxylic acid
CID 65075798
1-ethyl-4-(4-methylpiperazin-1-yl)piperidine-4-carboxylic acid
CID 65421201
1-(2-bromoprop-2-enyl)-4-ethylpiperidine-4-carboxylic acid
CID 63126160

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-ethylpiperidine-4-carboxylic acid?
The IUPAC name of 4-(aminomethyl)-1-ethylpiperidine-4-carboxylic acid (CID 83907010) is 4-(aminomethyl)-1-ethylpiperidine-4-carboxylic acid.
What is the SMILES notation for 4-(aminomethyl)-1-ethylpiperidine-4-carboxylic acid?
The canonical SMILES for 4-(aminomethyl)-1-ethylpiperidine-4-carboxylic acid is CCN1CCC(CN)(C(=O)O)CC1.
What is the InChIKey of 4-(aminomethyl)-1-ethylpiperidine-4-carboxylic acid?
The InChIKey is HYSMOKPMFRTOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-2-11-5-3-9(7-10,4-6-11)8(12)13/h2-7,10H2,1H3,(H,12,13).
What are the key properties of 4-(aminomethyl)-1-ethylpiperidine-4-carboxylic acid?
4-(aminomethyl)-1-ethylpiperidine-4-carboxylic acid has a molecular weight of 186.25 g/mol, XLogP of 0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-ethylpiperidine-4-carboxylic acid is sourced from PubChem (CID 83907010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).