4-amino-1-(4-ethenylpiperidin-1-yl)pentan-1-one;hydrochloride

C12H23ClN2O — CID 120562620

IUPAC4-amino-1-(4-ethenylpiperidin-1-yl)pentan-1-one;hydrochloride
SMILESC=CC1CCN(C(=O)CCC(C)N)CC1.Cl
InChIInChI=1S/C12H22N2O.ClH/c1-3-11-6-8-14(9-7-11)12(15)5-4-10(2)13;/h3,10-11H,1,4-9,13H2,2H3;1H
InChIKeyBVVKOGWYANRVRW-UHFFFAOYSA-N
MW246.78 g/mol
LogP1.96
Rot. Bonds4

About 4-amino-1-(4-ethenylpiperidin-1-yl)pentan-1-one;hydrochloride

4-amino-1-(4-ethenylpiperidin-1-yl)pentan-1-one;hydrochloride (PubChem CID 120562620) has the molecular formula C12H23ClN2O and a molecular weight of 246.78 g/mol. Its IUPAC name is 4-amino-1-(4-ethenylpiperidin-1-yl)pentan-1-one;hydrochloride.

Molecular Properties

Compound Name4-amino-1-(4-ethenylpiperidin-1-yl)pentan-1-one;hydrochloride
PubChem CID120562620
Molecular FormulaC12H23ClN2O
Molecular Weight246.78 g/mol
Exact Mass246.15
IUPAC Name4-amino-1-(4-ethenylpiperidin-1-yl)pentan-1-one;hydrochloride
SMILESC=CC1CCN(C(=O)CCC(C)N)CC1.Cl
InChIInChI=1S/C12H22N2O.ClH/c1-3-11-6-8-14(9-7-11)12(15)5-4-10(2)13;/h3,10-11H,1,4-9,13H2,2H3;1H
InChIKeyBVVKOGWYANRVRW-UHFFFAOYSA-N
XLogP1.96
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.78
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-amino-1-(4-ethenylpiperidin-1-yl)pentan-1-one
CID 120562621
4-amino-1-(4-cyclopropylpiperazin-1-yl)pentan-1-one;dihydrochloride
CID 120564504
4-amino-1-[4-(2-methylpropoxy)piperidin-1-yl]pentan-1-one;hydrochloride
CID 120561009
4-amino-1-[4-[2-(diethylamino)acetyl]piperazin-1-yl]pentan-1-one;dihydrochloride
CID 120565339
4-amino-1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]pentan-1-one;hydrochloride
CID 120560088
4-amino-1-(4-pyrrolidin-1-ylazepan-1-yl)pentan-1-one;dihydrochloride
CID 120565731
4-amino-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;dihydrochloride
CID 120564498
1-(4-aminopentanoyl)piperidine-3,4-dicarboxylic acid
CID 112568092
4-amino-1-(3,4-dimethylpyrrolidin-1-yl)pentan-1-one
CID 79181825
4-amino-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pentan-1-one
CID 114797469
4-amino-1-(4-benzylpiperidin-1-yl)pentan-1-one;hydrochloride
CID 120558672
4-amino-1-[4-(oxan-4-yl)piperazin-1-yl]pentan-1-one
CID 120565746

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(4-ethenylpiperidin-1-yl)pentan-1-one;hydrochloride?
The IUPAC name of 4-amino-1-(4-ethenylpiperidin-1-yl)pentan-1-one;hydrochloride (CID 120562620) is 4-amino-1-(4-ethenylpiperidin-1-yl)pentan-1-one;hydrochloride.
What is the SMILES notation for 4-amino-1-(4-ethenylpiperidin-1-yl)pentan-1-one;hydrochloride?
The canonical SMILES for 4-amino-1-(4-ethenylpiperidin-1-yl)pentan-1-one;hydrochloride is C=CC1CCN(C(=O)CCC(C)N)CC1.Cl.
What is the InChIKey of 4-amino-1-(4-ethenylpiperidin-1-yl)pentan-1-one;hydrochloride?
The InChIKey is BVVKOGWYANRVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O.ClH/c1-3-11-6-8-14(9-7-11)12(15)5-4-10(2)13;/h3,10-11H,1,4-9,13H2,2H3;1H.
What are the key properties of 4-amino-1-(4-ethenylpiperidin-1-yl)pentan-1-one;hydrochloride?
4-amino-1-(4-ethenylpiperidin-1-yl)pentan-1-one;hydrochloride has a molecular weight of 246.78 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(4-ethenylpiperidin-1-yl)pentan-1-one;hydrochloride is sourced from PubChem (CID 120562620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).