[3-(2-aminoethyl)piperidin-1-yl]-(2-methyl-3-pyridinyl)methanone;dihydrochloride

C14H23Cl2N3O — CID 120727378

IUPAC[3-(2-aminoethyl)piperidin-1-yl]-(2-methyl-3-pyridinyl)methanone;dihydrochloride
SMILESCc1ncccc1C(=O)N1CCCC(CCN)C1.Cl.Cl
InChIInChI=1S/C14H21N3O.2ClH/c1-11-13(5-2-8-16-11)14(18)17-9-3-4-12(10-17)6-7-15;;/h2,5,8,12H,3-4,6-7,9-10,15H2,1H3;2*1H
InChIKeyKLCAUZKYJXLLSS-UHFFFAOYSA-N
MW320.26 g/mol
LogP2.43
Rot. Bonds3

About [3-(2-aminoethyl)piperidin-1-yl]-(2-methyl-3-pyridinyl)methanone;dihydrochloride

[3-(2-aminoethyl)piperidin-1-yl]-(2-methyl-3-pyridinyl)methanone;dihydrochloride (PubChem CID 120727378) has the molecular formula C14H23Cl2N3O and a molecular weight of 320.26 g/mol. Its IUPAC name is [3-(2-aminoethyl)piperidin-1-yl]-(2-methyl-3-pyridinyl)methanone;dihydrochloride.

Molecular Properties

Compound Name[3-(2-aminoethyl)piperidin-1-yl]-(2-methyl-3-pyridinyl)methanone;dihydrochloride
PubChem CID120727378
Molecular FormulaC14H23Cl2N3O
Molecular Weight320.26 g/mol
Exact Mass319.12
IUPAC Name[3-(2-aminoethyl)piperidin-1-yl]-(2-methyl-3-pyridinyl)methanone;dihydrochloride
SMILESCc1ncccc1C(=O)N1CCCC(CCN)C1.Cl.Cl
InChIInChI=1S/C14H21N3O.2ClH/c1-11-13(5-2-8-16-11)14(18)17-9-3-4-12(10-17)6-7-15;;/h2,5,8,12H,3-4,6-7,9-10,15H2,1H3;2*1H
InChIKeyKLCAUZKYJXLLSS-UHFFFAOYSA-N
XLogP2.43
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.26
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[3-[(sulfamoylamino)methyl]piperidine-1-carbonyl]pyridine
CID 78999103
N-(2-aminoethyl)-1-(2-methylpyridine-3-carbonyl)piperidine-3-carboxamide;dihydrochloride
CID 119480906
[3-(aminomethyl)piperidin-1-yl]-(2-chloro-3-pyridinyl)methanone;hydrochloride
CID 71644537
[3-(2-aminoethyl)piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone;dihydrochloride
CID 120727383
[3-(2-aminoethyl)piperidin-1-yl]-(2,3-dimethoxyphenyl)methanone;hydrochloride
CID 120727463
[(3R)-3-(2-aminoethyl)piperidin-1-yl]-[2-(2-fluorophenyl)phenyl]methanone
CID 28766858
[3-(aminomethyl)piperidin-1-yl]-quinolin-8-ylmethanone;dihydrochloride
CID 119464977
[3-(2-aminoethyl)pyrrolidin-1-yl]-quinolin-5-ylmethanone
CID 114802065
[3-(2-aminoethyl)piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone
CID 63767651
[3-(2-aminoethyl)piperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone;hydrochloride
CID 120727536
[3-(2-aminoethyl)piperidin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 120727676
(2-chloro-3-pyridinyl)-(3-ethylpiperidin-1-yl)methanone
CID 43430237

Frequently Asked Questions

What is the IUPAC name of [3-(2-aminoethyl)piperidin-1-yl]-(2-methyl-3-pyridinyl)methanone;dihydrochloride?
The IUPAC name of [3-(2-aminoethyl)piperidin-1-yl]-(2-methyl-3-pyridinyl)methanone;dihydrochloride (CID 120727378) is [3-(2-aminoethyl)piperidin-1-yl]-(2-methyl-3-pyridinyl)methanone;dihydrochloride.
What is the SMILES notation for [3-(2-aminoethyl)piperidin-1-yl]-(2-methyl-3-pyridinyl)methanone;dihydrochloride?
The canonical SMILES for [3-(2-aminoethyl)piperidin-1-yl]-(2-methyl-3-pyridinyl)methanone;dihydrochloride is Cc1ncccc1C(=O)N1CCCC(CCN)C1.Cl.Cl.
What is the InChIKey of [3-(2-aminoethyl)piperidin-1-yl]-(2-methyl-3-pyridinyl)methanone;dihydrochloride?
The InChIKey is KLCAUZKYJXLLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O.2ClH/c1-11-13(5-2-8-16-11)14(18)17-9-3-4-12(10-17)6-7-15;;/h2,5,8,12H,3-4,6-7,9-10,15H2,1H3;2*1H.
What are the key properties of [3-(2-aminoethyl)piperidin-1-yl]-(2-methyl-3-pyridinyl)methanone;dihydrochloride?
[3-(2-aminoethyl)piperidin-1-yl]-(2-methyl-3-pyridinyl)methanone;dihydrochloride has a molecular weight of 320.26 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-aminoethyl)piperidin-1-yl]-(2-methyl-3-pyridinyl)methanone;dihydrochloride is sourced from PubChem (CID 120727378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).