[4-(6,6-dimethylcyclohepta[d][1,3]oxazol-2-yl)piperidin-4-yl]methanamine

C16H23N3O — CID 143699109

IUPAC[4-(6,6-dimethylcyclohepta[d][1,3]oxazol-2-yl)piperidin-4-yl]methanamine
SMILESCC1(C)C=Cc2nc(C3(CN)CCNCC3)oc2C=C1
InChIInChI=1S/C16H23N3O/c1-15(2)5-3-12-13(4-6-15)20-14(19-12)16(11-17)7-9-18-10-8-16/h3-6,18H,7-11,17H2,1-2H3
InChIKeySKZONNIVLKUXRI-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.32
Rot. Bonds2

About [4-(6,6-dimethylcyclohepta[d][1,3]oxazol-2-yl)piperidin-4-yl]methanamine

[4-(6,6-dimethylcyclohepta[d][1,3]oxazol-2-yl)piperidin-4-yl]methanamine (PubChem CID 143699109) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is [4-(6,6-dimethylcyclohepta[d][1,3]oxazol-2-yl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[4-(6,6-dimethylcyclohepta[d][1,3]oxazol-2-yl)piperidin-4-yl]methanamine
PubChem CID143699109
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name[4-(6,6-dimethylcyclohepta[d][1,3]oxazol-2-yl)piperidin-4-yl]methanamine
SMILESCC1(C)C=Cc2nc(C3(CN)CCNCC3)oc2C=C1
InChIInChI=1S/C16H23N3O/c1-15(2)5-3-12-13(4-6-15)20-14(19-12)16(11-17)7-9-18-10-8-16/h3-6,18H,7-11,17H2,1-2H3
InChIKeySKZONNIVLKUXRI-UHFFFAOYSA-N
XLogP2.32
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethenyl-2-piperidin-4-yl-4-[(Z)-prop-1-enyl]-1,3-oxazole
CID 89901258
6-Methyl-2-(8-methyl-7-azaspiro[3.5]nonan-8-yl)-6-propan-2-ylcyclohepta[d][1,3]oxazole
CID 142555378
1-[[2-[(2E,4E,6Z)-4,5-bis(ethenyl)octa-2,4,6-trien-3-yl]-5-methyl-1,3-oxazol-4-yl]methyl]-N-[3-[ethyl(propyl)amino]propyl]piperidine-4-carboxamide
CID 144978659
carbanide;2-piperidin-4-yl-5H-1,3-benzoxazol-5-ide;tungsten(2+)
CID 155572340

Frequently Asked Questions

What is the IUPAC name of [4-(6,6-dimethylcyclohepta[d][1,3]oxazol-2-yl)piperidin-4-yl]methanamine?
The IUPAC name of [4-(6,6-dimethylcyclohepta[d][1,3]oxazol-2-yl)piperidin-4-yl]methanamine (CID 143699109) is [4-(6,6-dimethylcyclohepta[d][1,3]oxazol-2-yl)piperidin-4-yl]methanamine.
What is the SMILES notation for [4-(6,6-dimethylcyclohepta[d][1,3]oxazol-2-yl)piperidin-4-yl]methanamine?
The canonical SMILES for [4-(6,6-dimethylcyclohepta[d][1,3]oxazol-2-yl)piperidin-4-yl]methanamine is CC1(C)C=Cc2nc(C3(CN)CCNCC3)oc2C=C1.
What is the InChIKey of [4-(6,6-dimethylcyclohepta[d][1,3]oxazol-2-yl)piperidin-4-yl]methanamine?
The InChIKey is SKZONNIVLKUXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-15(2)5-3-12-13(4-6-15)20-14(19-12)16(11-17)7-9-18-10-8-16/h3-6,18H,7-11,17H2,1-2H3.
What are the key properties of [4-(6,6-dimethylcyclohepta[d][1,3]oxazol-2-yl)piperidin-4-yl]methanamine?
[4-(6,6-dimethylcyclohepta[d][1,3]oxazol-2-yl)piperidin-4-yl]methanamine has a molecular weight of 273.38 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6,6-dimethylcyclohepta[d][1,3]oxazol-2-yl)piperidin-4-yl]methanamine is sourced from PubChem (CID 143699109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).