N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine

C13H23N3O — CID 62416479

IUPACN-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine
SMILESCc1cc(CNCCC2CCCCN2C)no1
InChIInChI=1S/C13H23N3O/c1-11-9-12(15-17-11)10-14-7-6-13-5-3-4-8-16(13)2/h9,13-14H,3-8,10H2,1-2H3
InChIKeyHJUODWLBBPBKQY-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.95
Rot. Bonds5

About N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine

N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine (PubChem CID 62416479) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine
PubChem CID62416479
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine
SMILESCc1cc(CNCCC2CCCCN2C)no1
InChIInChI=1S/C13H23N3O/c1-11-9-12(15-17-11)10-14-7-6-13-5-3-4-8-16(13)2/h9,13-14H,3-8,10H2,1-2H3
InChIKeyHJUODWLBBPBKQY-UHFFFAOYSA-N
XLogP1.95
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1-methylpiperidin-2-yl)-N-(pyridin-4-ylmethyl)ethanamine
CID 60684733
N-[(5-ethylthiophen-2-yl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine
CID 114136966
[4-[[2-(1-methylpiperidin-2-yl)ethylamino]methyl]phenyl]methanol
CID 107230971
N-[(3,4-dimethoxyphenyl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine
CID 60688002
N-[(5-bromothiophen-2-yl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine
CID 62416869
N-ethyl-2-(1-methylpiperidin-2-yl)ethanamine
CID 60685781
N-[(2,4-difluorophenyl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine
CID 62415492
3-[[2-(1-methylpiperidin-2-yl)ethylamino]methyl]benzonitrile
CID 55066732
N-methyl-3-(1-methylpiperidin-2-yl)propan-1-amine
CID 70383775
N-(2-imidazol-1-ylethyl)-2-(1-methylpiperidin-2-yl)ethanamine
CID 55024503
3-fluoro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propan-1-amine
CID 81106816
1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-amine
CID 60694528

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine?
The IUPAC name of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine (CID 62416479) is N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine.
What is the SMILES notation for N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine?
The canonical SMILES for N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine is Cc1cc(CNCCC2CCCCN2C)no1.
What is the InChIKey of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine?
The InChIKey is HJUODWLBBPBKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-11-9-12(15-17-11)10-14-7-6-13-5-3-4-8-16(13)2/h9,13-14H,3-8,10H2,1-2H3.
What are the key properties of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine?
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine has a molecular weight of 237.35 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine is sourced from PubChem (CID 62416479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).