[2-(1-aminoethyl)piperidin-1-yl]-(7-bicyclo[4.1.0]heptanyl)methanone;hydrochloride

C15H27ClN2O — CID 119436103

IUPAC[2-(1-aminoethyl)piperidin-1-yl]-(7-bicyclo[4.1.0]heptanyl)methanone;hydrochloride
SMILESCC(N)C1CCCCN1C(=O)C1C2CCCCC21.Cl
InChIInChI=1S/C15H26N2O.ClH/c1-10(16)13-8-4-5-9-17(13)15(18)14-11-6-2-3-7-12(11)14;/h10-14H,2-9,16H2,1H3;1H
InChIKeySSZLPVFEMTZIGR-UHFFFAOYSA-N
MW286.85 g/mol
LogP2.57
Rot. Bonds2

About [2-(1-aminoethyl)piperidin-1-yl]-(7-bicyclo[4.1.0]heptanyl)methanone;hydrochloride

[2-(1-aminoethyl)piperidin-1-yl]-(7-bicyclo[4.1.0]heptanyl)methanone;hydrochloride (PubChem CID 119436103) has the molecular formula C15H27ClN2O and a molecular weight of 286.85 g/mol. Its IUPAC name is [2-(1-aminoethyl)piperidin-1-yl]-(7-bicyclo[4.1.0]heptanyl)methanone;hydrochloride.

Molecular Properties

Compound Name[2-(1-aminoethyl)piperidin-1-yl]-(7-bicyclo[4.1.0]heptanyl)methanone;hydrochloride
PubChem CID119436103
Molecular FormulaC15H27ClN2O
Molecular Weight286.85 g/mol
Exact Mass286.18
IUPAC Name[2-(1-aminoethyl)piperidin-1-yl]-(7-bicyclo[4.1.0]heptanyl)methanone;hydrochloride
SMILESCC(N)C1CCCCN1C(=O)C1C2CCCCC21.Cl
InChIInChI=1S/C15H26N2O.ClH/c1-10(16)13-8-4-5-9-17(13)15(18)14-11-6-2-3-7-12(11)14;/h10-14H,2-9,16H2,1H3;1H
InChIKeySSZLPVFEMTZIGR-UHFFFAOYSA-N
XLogP2.57
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.85
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [2-(1-aminoethyl)piperidin-1-yl]-(7-bicyclo[4.1.0]heptanyl)methanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[2-(1-aminoethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone;hydrochloride
CID 119434405
1-[2-(1-aminoethyl)piperidin-1-yl]-2-methylsulfonylpropan-1-one
CID 112701185
1-[2-[2-(1-aminoethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 119434406
[2-(1-aminoethyl)piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 79161243
1-[2-(1-aminoethyl)piperidin-1-yl]-3-ethylpentan-1-one;hydrochloride
CID 119435731
[(1R,3R)-3-aminocyclohexyl]-[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]methanone
CID 129414979
[2-(1-aminoethyl)piperidin-1-yl]-(5-methyloxolan-2-yl)methanone
CID 81330680
[2-(1-aminoethyl)piperidin-1-yl]-(2-ethyl-2-methylcyclopropyl)methanone;hydrochloride
CID 119436126
1-[3-[2-(1-aminoethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one;hydrochloride
CID 119435128
1-[2-(1-aminoethyl)piperidin-1-yl]-2-butylsulfanylpropan-1-one;hydrochloride
CID 119435590
1-[2-(1-aminoethyl)piperidin-1-yl]-3-methoxy-2-methylpropan-1-one;hydrochloride
CID 119435646
N-[4-[2-(1-aminoethyl)piperidine-1-carbonyl]cyclohexyl]-2-cyclopentylacetamide;hydrochloride
CID 119436827

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-(7-bicyclo[4.1.0]heptanyl)methanone;hydrochloride?
The IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-(7-bicyclo[4.1.0]heptanyl)methanone;hydrochloride (CID 119436103) is [2-(1-aminoethyl)piperidin-1-yl]-(7-bicyclo[4.1.0]heptanyl)methanone;hydrochloride.
What is the SMILES notation for [2-(1-aminoethyl)piperidin-1-yl]-(7-bicyclo[4.1.0]heptanyl)methanone;hydrochloride?
The canonical SMILES for [2-(1-aminoethyl)piperidin-1-yl]-(7-bicyclo[4.1.0]heptanyl)methanone;hydrochloride is CC(N)C1CCCCN1C(=O)C1C2CCCCC21.Cl.
What is the InChIKey of [2-(1-aminoethyl)piperidin-1-yl]-(7-bicyclo[4.1.0]heptanyl)methanone;hydrochloride?
The InChIKey is SSZLPVFEMTZIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O.ClH/c1-10(16)13-8-4-5-9-17(13)15(18)14-11-6-2-3-7-12(11)14;/h10-14H,2-9,16H2,1H3;1H.
What are the key properties of [2-(1-aminoethyl)piperidin-1-yl]-(7-bicyclo[4.1.0]heptanyl)methanone;hydrochloride?
[2-(1-aminoethyl)piperidin-1-yl]-(7-bicyclo[4.1.0]heptanyl)methanone;hydrochloride has a molecular weight of 286.85 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminoethyl)piperidin-1-yl]-(7-bicyclo[4.1.0]heptanyl)methanone;hydrochloride is sourced from PubChem (CID 119436103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).