N-(1,2-oxazol-5-ylmethyl)-N-(piperidin-2-ylmethyl)propan-1-amine

C13H23N3O — CID 106635999

IUPACN-(1,2-oxazol-5-ylmethyl)-N-(piperidin-2-ylmethyl)propan-1-amine
SMILESCCCN(Cc1ccno1)CC1CCCCN1
InChIInChI=1S/C13H23N3O/c1-2-9-16(11-13-6-8-15-17-13)10-12-5-3-4-7-14-12/h6,8,12,14H,2-5,7,9-11H2,1H3
InChIKeyIOYLTGBXUKRWRH-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.03
Rot. Bonds6

About N-(1,2-oxazol-5-ylmethyl)-N-(piperidin-2-ylmethyl)propan-1-amine

N-(1,2-oxazol-5-ylmethyl)-N-(piperidin-2-ylmethyl)propan-1-amine (PubChem CID 106635999) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-(1,2-oxazol-5-ylmethyl)-N-(piperidin-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-(1,2-oxazol-5-ylmethyl)-N-(piperidin-2-ylmethyl)propan-1-amine
PubChem CID106635999
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-(1,2-oxazol-5-ylmethyl)-N-(piperidin-2-ylmethyl)propan-1-amine
SMILESCCCN(Cc1ccno1)CC1CCCCN1
InChIInChI=1S/C13H23N3O/c1-2-9-16(11-13-6-8-15-17-13)10-12-5-3-4-7-14-12/h6,8,12,14H,2-5,7,9-11H2,1H3
InChIKeyIOYLTGBXUKRWRH-UHFFFAOYSA-N
XLogP2.03
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(piperidin-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)propan-1-amine
CID 106623603
N-[(2,5-difluorophenyl)methyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106623577
N-(piperidin-2-ylmethyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propan-1-amine
CID 106635960
N-[(4-chloro-2-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106636023
N-[(4-methyl-3-pyridinyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603786
N-(piperidin-2-ylmethyl)-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine
CID 106636093
6-[[piperidin-2-ylmethyl(propyl)amino]methyl]-1,3,5-triazine-2,4-diamine
CID 106635842
4-[[piperidin-2-ylmethyl(propyl)amino]methyl]benzene-1,2-diol
CID 106623196
3-fluoro-4-[[piperidin-2-ylmethyl(propyl)amino]methyl]benzonitrile
CID 106635989
4-fluoro-2-[[piperidin-2-ylmethyl(propyl)amino]methyl]benzonitrile
CID 106636161
N-(piperidin-2-ylmethyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 106635856
N-(1,2-oxazol-5-ylmethyl)-1-piperidin-2-ylmethanamine
CID 106415135

Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-5-ylmethyl)-N-(piperidin-2-ylmethyl)propan-1-amine?
The IUPAC name of N-(1,2-oxazol-5-ylmethyl)-N-(piperidin-2-ylmethyl)propan-1-amine (CID 106635999) is N-(1,2-oxazol-5-ylmethyl)-N-(piperidin-2-ylmethyl)propan-1-amine.
What is the SMILES notation for N-(1,2-oxazol-5-ylmethyl)-N-(piperidin-2-ylmethyl)propan-1-amine?
The canonical SMILES for N-(1,2-oxazol-5-ylmethyl)-N-(piperidin-2-ylmethyl)propan-1-amine is CCCN(Cc1ccno1)CC1CCCCN1.
What is the InChIKey of N-(1,2-oxazol-5-ylmethyl)-N-(piperidin-2-ylmethyl)propan-1-amine?
The InChIKey is IOYLTGBXUKRWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-2-9-16(11-13-6-8-15-17-13)10-12-5-3-4-7-14-12/h6,8,12,14H,2-5,7,9-11H2,1H3.
What are the key properties of N-(1,2-oxazol-5-ylmethyl)-N-(piperidin-2-ylmethyl)propan-1-amine?
N-(1,2-oxazol-5-ylmethyl)-N-(piperidin-2-ylmethyl)propan-1-amine has a molecular weight of 237.35 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-5-ylmethyl)-N-(piperidin-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 106635999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).