1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride

C13H24ClN3O — CID 119925596

IUPAC1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride
SMILESCc1noc(C)c1CN1CCCC(C(C)N)C1.Cl
InChIInChI=1S/C13H23N3O.ClH/c1-9(14)12-5-4-6-16(7-12)8-13-10(2)15-17-11(13)3;/h9,12H,4-8,14H2,1-3H3;1H
InChIKeyRAHIMURFVZVIKL-UHFFFAOYSA-N
MW273.81 g/mol
LogP2.27
Rot. Bonds3

About 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride

1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride (PubChem CID 119925596) has the molecular formula C13H24ClN3O and a molecular weight of 273.81 g/mol. Its IUPAC name is 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride
PubChem CID119925596
Molecular FormulaC13H24ClN3O
Molecular Weight273.81 g/mol
Exact Mass273.16
IUPAC Name1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride
SMILESCc1noc(C)c1CN1CCCC(C(C)N)C1.Cl
InChIInChI=1S/C13H23N3O.ClH/c1-9(14)12-5-4-6-16(7-12)8-13-10(2)15-17-11(13)3;/h9,12H,4-8,14H2,1-3H3;1H
InChIKeyRAHIMURFVZVIKL-UHFFFAOYSA-N
XLogP2.27
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.81
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-3-carbaldehyde
CID 62654932
5-[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 94207638
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-amine;hydrochloride
CID 119907958
ethyl N-[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]carbamate
CID 94154330
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-ol
CID 56828639
1-[1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]ethanamine
CID 120841022
3,5-dimethyl-4-[[3-(1-methylpyrazol-3-yl)piperidin-1-yl]methyl]-1,2-oxazole
CID 121184804
3,5-dimethyl-4-[[(3S)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole
CID 99957391
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-N-methylcyclopropanesulfonamide
CID 163346351
3,5-dimethyl-4-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2-oxazole
CID 95311320
1-[1-[(4-iodophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 119925517
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119916117

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride?
The IUPAC name of 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride (CID 119925596) is 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride?
The canonical SMILES for 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride is Cc1noc(C)c1CN1CCCC(C(C)N)C1.Cl.
What is the InChIKey of 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride?
The InChIKey is RAHIMURFVZVIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O.ClH/c1-9(14)12-5-4-6-16(7-12)8-13-10(2)15-17-11(13)3;/h9,12H,4-8,14H2,1-3H3;1H.
What are the key properties of 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride?
1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride has a molecular weight of 273.81 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride is sourced from PubChem (CID 119925596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).