[3-(1-aminoethyl)piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone;dihydrochloride

C12H21Cl2N3O2 — CID 119594797

IUPAC[3-(1-aminoethyl)piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone;dihydrochloride
SMILESCc1ncoc1C(=O)N1CCCC(C(C)N)C1.Cl.Cl
InChIInChI=1S/C12H19N3O2.2ClH/c1-8(13)10-4-3-5-15(6-10)12(16)11-9(2)14-7-17-11;;/h7-8,10H,3-6,13H2,1-2H3;2*1H
InChIKeyJFWRWDPMPYGSNA-UHFFFAOYSA-N
MW310.23 g/mol
LogP2.03
Rot. Bonds2

About [3-(1-aminoethyl)piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone;dihydrochloride

[3-(1-aminoethyl)piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone;dihydrochloride (PubChem CID 119594797) has the molecular formula C12H21Cl2N3O2 and a molecular weight of 310.23 g/mol. Its IUPAC name is [3-(1-aminoethyl)piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name[3-(1-aminoethyl)piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone;dihydrochloride
PubChem CID119594797
Molecular FormulaC12H21Cl2N3O2
Molecular Weight310.23 g/mol
Exact Mass309.10
IUPAC Name[3-(1-aminoethyl)piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone;dihydrochloride
SMILESCc1ncoc1C(=O)N1CCCC(C(C)N)C1.Cl.Cl
InChIInChI=1S/C12H19N3O2.2ClH/c1-8(13)10-4-3-5-15(6-10)12(16)11-9(2)14-7-17-11;;/h7-8,10H,3-6,13H2,1-2H3;2*1H
InChIKeyJFWRWDPMPYGSNA-UHFFFAOYSA-N
XLogP2.03
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(1-aminoethyl)piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone;dihydrochloride
CID 119518888
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 112627373
[3-(1-aminoethyl)piperidin-1-yl]-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazol-4-yl]methanone
CID 119596326
[3-(1-aminoethyl)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone
CID 82830655
[3-(1-aminoethyl)piperidin-1-yl]-(5-chloro-2-pyridinyl)methanone;dihydrochloride
CID 119594677
[3-(1-aminoethyl)piperidin-1-yl]-(4-iodophenyl)methanone;hydrochloride
CID 119592641
3-[3-(1-aminoethyl)piperidine-1-carbonyl]benzamide;hydrochloride
CID 119595557
[3-(1-aminoethyl)piperidin-1-yl]-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanone;dihydrochloride
CID 119594000
[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(5-chloro-3-methyl-1-benzofuran-2-yl)methanone
CID 124689111
[3-(1-aminoethyl)piperidin-1-yl]-(thiadiazol-4-yl)methanone
CID 65216121
[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-(4-methylthiophen-3-yl)methanone
CID 97161048
[3-(1-aminoethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone;hydrochloride
CID 119596663

Frequently Asked Questions

What is the IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone;dihydrochloride?
The IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone;dihydrochloride (CID 119594797) is [3-(1-aminoethyl)piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone;dihydrochloride.
What is the SMILES notation for [3-(1-aminoethyl)piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone;dihydrochloride?
The canonical SMILES for [3-(1-aminoethyl)piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone;dihydrochloride is Cc1ncoc1C(=O)N1CCCC(C(C)N)C1.Cl.Cl.
What is the InChIKey of [3-(1-aminoethyl)piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone;dihydrochloride?
The InChIKey is JFWRWDPMPYGSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2.2ClH/c1-8(13)10-4-3-5-15(6-10)12(16)11-9(2)14-7-17-11;;/h7-8,10H,3-6,13H2,1-2H3;2*1H.
What are the key properties of [3-(1-aminoethyl)piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone;dihydrochloride?
[3-(1-aminoethyl)piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone;dihydrochloride has a molecular weight of 310.23 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-aminoethyl)piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone;dihydrochloride is sourced from PubChem (CID 119594797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).