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

C13H23N3O — CID 79716550

IUPACN-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
SMILESCCN(Cc1cc(C)no1)CC1CCNCC1
InChIInChI=1S/C13H23N3O/c1-3-16(9-12-4-6-14-7-5-12)10-13-8-11(2)15-17-13/h8,12,14H,3-7,9-10H2,1-2H3
InChIKeyQKDKRQPSVQMGJA-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.80
Rot. Bonds5

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

N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)ethanamine (PubChem CID 79716550) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
PubChem CID79716550
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
SMILESCCN(Cc1cc(C)no1)CC1CCNCC1
InChIInChI=1S/C13H23N3O/c1-3-16(9-12-4-6-14-7-5-12)10-13-8-11(2)15-17-13/h8,12,14H,3-7,9-10H2,1-2H3
InChIKeyQKDKRQPSVQMGJA-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79714350
N-[(3,5-dimethylphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79715176
N-(furan-2-ylmethyl)-N-(piperidin-4-ylmethyl)ethanamine
CID 61421310
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79715678
N-[(3,5-dimethoxyphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79700398
N-[(3-fluoro-4-methylphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79715680
N-[(2,5-dichlorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79717298
N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]azetidin-3-amine
CID 66185057
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106639763
N-[(2,6-dichlorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79715751
N-[(3-bromophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79715386
N-(piperidin-4-ylmethyl)-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 79701543

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)ethanamine?
The IUPAC name of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)ethanamine (CID 79716550) is N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)ethanamine.
What is the SMILES notation for N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)ethanamine?
The canonical SMILES for N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)ethanamine is CCN(Cc1cc(C)no1)CC1CCNCC1.
What is the InChIKey of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)ethanamine?
The InChIKey is QKDKRQPSVQMGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-16(9-12-4-6-14-7-5-12)10-13-8-11(2)15-17-13/h8,12,14H,3-7,9-10H2,1-2H3.
What are the key properties of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)ethanamine?
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)ethanamine has a molecular weight of 237.35 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)ethanamine is sourced from PubChem (CID 79716550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).