[3-(aminomethyl)piperidin-1-yl]-(5-chloro-2-pyridinyl)methanone;dihydrochloride

C12H18Cl3N3O — CID 119464950

IUPAC[3-(aminomethyl)piperidin-1-yl]-(5-chloro-2-pyridinyl)methanone;dihydrochloride
SMILESCl.Cl.NCC1CCCN(C(=O)c2ccc(Cl)cn2)C1
InChIInChI=1S/C12H16ClN3O.2ClH/c13-10-3-4-11(15-7-10)12(17)16-5-1-2-9(6-14)8-16;;/h3-4,7,9H,1-2,5-6,8,14H2;2*1H
InChIKeyQHKIOPWIQGARRM-UHFFFAOYSA-N
MW326.66 g/mol
LogP2.39
Rot. Bonds2

About [3-(aminomethyl)piperidin-1-yl]-(5-chloro-2-pyridinyl)methanone;dihydrochloride

[3-(aminomethyl)piperidin-1-yl]-(5-chloro-2-pyridinyl)methanone;dihydrochloride (PubChem CID 119464950) has the molecular formula C12H18Cl3N3O and a molecular weight of 326.66 g/mol. Its IUPAC name is [3-(aminomethyl)piperidin-1-yl]-(5-chloro-2-pyridinyl)methanone;dihydrochloride.

Molecular Properties

Compound Name[3-(aminomethyl)piperidin-1-yl]-(5-chloro-2-pyridinyl)methanone;dihydrochloride
PubChem CID119464950
Molecular FormulaC12H18Cl3N3O
Molecular Weight326.66 g/mol
Exact Mass325.05
IUPAC Name[3-(aminomethyl)piperidin-1-yl]-(5-chloro-2-pyridinyl)methanone;dihydrochloride
SMILESCl.Cl.NCC1CCCN(C(=O)c2ccc(Cl)cn2)C1
InChIInChI=1S/C12H16ClN3O.2ClH/c13-10-3-4-11(15-7-10)12(17)16-5-1-2-9(6-14)8-16;;/h3-4,7,9H,1-2,5-6,8,14H2;2*1H
InChIKeyQHKIOPWIQGARRM-UHFFFAOYSA-N
XLogP2.39
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.66
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(aminomethyl)piperidin-1-yl]-(5-bromo-2-pyridinyl)methanone
CID 62959741
[3-(aminomethyl)piperidin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone;dihydrochloride
CID 119464987
[3-(aminomethyl)piperidin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone
CID 115736878
[3-(1-aminoethyl)piperidin-1-yl]-(5-chloro-2-pyridinyl)methanone;dihydrochloride
CID 119594677
[3-(2-aminoethyl)piperidin-1-yl]-(5-bromo-2-pyridinyl)methanone;dihydrochloride
CID 120727576
[3-(bromomethyl)pyrrolidin-1-yl]-(5-chloro-2-pyridinyl)methanone
CID 80668297
[3-(aminomethyl)piperidin-1-yl]-(2-chloro-3-pyridinyl)methanone;hydrochloride
CID 71644537
[3-(aminomethyl)piperidin-1-yl]-(4-chloro-2-fluorophenyl)methanone;hydrochloride
CID 119464843
methyl (3S)-1-(5-chloropyridine-2-carbonyl)piperidine-3-carboxylate
CID 78994553
3-[3-(aminomethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 103805953
[(3S)-3-anilinopiperidin-1-yl]-(5-chloro-2-pyridinyl)methanone
CID 97082738
[3-(aminomethyl)piperidin-1-yl]-(3-chloro-4-pyridinyl)methanone
CID 66484755

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)piperidin-1-yl]-(5-chloro-2-pyridinyl)methanone;dihydrochloride?
The IUPAC name of [3-(aminomethyl)piperidin-1-yl]-(5-chloro-2-pyridinyl)methanone;dihydrochloride (CID 119464950) is [3-(aminomethyl)piperidin-1-yl]-(5-chloro-2-pyridinyl)methanone;dihydrochloride.
What is the SMILES notation for [3-(aminomethyl)piperidin-1-yl]-(5-chloro-2-pyridinyl)methanone;dihydrochloride?
The canonical SMILES for [3-(aminomethyl)piperidin-1-yl]-(5-chloro-2-pyridinyl)methanone;dihydrochloride is Cl.Cl.NCC1CCCN(C(=O)c2ccc(Cl)cn2)C1.
What is the InChIKey of [3-(aminomethyl)piperidin-1-yl]-(5-chloro-2-pyridinyl)methanone;dihydrochloride?
The InChIKey is QHKIOPWIQGARRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O.2ClH/c13-10-3-4-11(15-7-10)12(17)16-5-1-2-9(6-14)8-16;;/h3-4,7,9H,1-2,5-6,8,14H2;2*1H.
What are the key properties of [3-(aminomethyl)piperidin-1-yl]-(5-chloro-2-pyridinyl)methanone;dihydrochloride?
[3-(aminomethyl)piperidin-1-yl]-(5-chloro-2-pyridinyl)methanone;dihydrochloride has a molecular weight of 326.66 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)piperidin-1-yl]-(5-chloro-2-pyridinyl)methanone;dihydrochloride is sourced from PubChem (CID 119464950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).