N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine

C13H23N3O — CID 79716770

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine
SMILESCc1nc(CN(C)CC2CCNCC2)oc1C
InChIInChI=1S/C13H23N3O/c1-10-11(2)17-13(15-10)9-16(3)8-12-4-6-14-7-5-12/h12,14H,4-9H2,1-3H3
InChIKeyAFPHDZUVALOLQX-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.72
Rot. Bonds4

About N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine (PubChem CID 79716770) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine
PubChem CID79716770
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine
SMILESCc1nc(CN(C)CC2CCNCC2)oc1C
InChIInChI=1S/C13H23N3O/c1-10-11(2)17-13(15-10)9-16(3)8-12-4-6-14-7-5-12/h12,14H,4-9H2,1-3H3
InChIKeyAFPHDZUVALOLQX-UHFFFAOYSA-N
XLogP1.72
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Cyclobutylethyl)-3-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]urea
CID 71922142
3-cyclopentyl-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]propanamide
CID 53599616
N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-1-methylcyclopentane-1-carboxamide
CID 56787255
1-cyano-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide
CID 56787257
N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide
CID 71931761
9-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]-6-oxa-9-azaspiro[4.5]decane
CID 71968456
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N,N-diethylcyclohexane-1-carboxamide
CID 71999875
2-[(4,5-Dimethyl-1,3-oxazol-2-yl)methylamino]-3-methyl-1-morpholin-4-ylbutan-1-one
CID 75443117
(1-((Dimethyl-1,3-oxazol-2-yl)methyl)piperidin-4-yl)methanamine
CID 52203126
1-[(Dimethyl-1,3-oxazol-2-yl)methyl]-1,4-diazepane
CID 53532524
1-[4-[1-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]-4-methylpyrrolidin-3-yl]piperazin-1-yl]ethanone
CID 71872044
tert-butyl N-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-methylamino]cyclohexyl]carbamate
CID 75408338

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine (CID 79716770) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine is Cc1nc(CN(C)CC2CCNCC2)oc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine?
The InChIKey is AFPHDZUVALOLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10-11(2)17-13(15-10)9-16(3)8-12-4-6-14-7-5-12/h12,14H,4-9H2,1-3H3.
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine has a molecular weight of 237.35 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine is sourced from PubChem (CID 79716770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).