1-(oxetan-3-yl)-N-(6-propan-2-ylcyclohexa-1,5-dien-1-yl)piperidin-4-amine

C17H28N2O — CID 167456979

IUPAC1-(oxetan-3-yl)-N-(6-propan-2-ylcyclohexa-1,5-dien-1-yl)piperidin-4-amine
SMILESCC(C)C1=CCCC=C1NC1CCN(C2COC2)CC1
InChIInChI=1S/C17H28N2O/c1-13(2)16-5-3-4-6-17(16)18-14-7-9-19(10-8-14)15-11-20-12-15/h5-6,13-15,18H,3-4,7-12H2,1-2H3
InChIKeyLZIZFQCBYBNZSU-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.70
Rot. Bonds4

About 1-(oxetan-3-yl)-N-(6-propan-2-ylcyclohexa-1,5-dien-1-yl)piperidin-4-amine

1-(oxetan-3-yl)-N-(6-propan-2-ylcyclohexa-1,5-dien-1-yl)piperidin-4-amine (PubChem CID 167456979) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-(oxetan-3-yl)-N-(6-propan-2-ylcyclohexa-1,5-dien-1-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-(oxetan-3-yl)-N-(6-propan-2-ylcyclohexa-1,5-dien-1-yl)piperidin-4-amine
PubChem CID167456979
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-(oxetan-3-yl)-N-(6-propan-2-ylcyclohexa-1,5-dien-1-yl)piperidin-4-amine
SMILESCC(C)C1=CCCC=C1NC1CCN(C2COC2)CC1
InChIInChI=1S/C17H28N2O/c1-13(2)16-5-3-4-6-17(16)18-14-7-9-19(10-8-14)15-11-20-12-15/h5-6,13-15,18H,3-4,7-12H2,1-2H3
InChIKeyLZIZFQCBYBNZSU-UHFFFAOYSA-N
XLogP2.70
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(oxetan-3-yl)-N-(6-propan-2-ylcyclohexa-1,5-dien-1-yl)piperidin-4-amine?
The IUPAC name of 1-(oxetan-3-yl)-N-(6-propan-2-ylcyclohexa-1,5-dien-1-yl)piperidin-4-amine (CID 167456979) is 1-(oxetan-3-yl)-N-(6-propan-2-ylcyclohexa-1,5-dien-1-yl)piperidin-4-amine.
What is the SMILES notation for 1-(oxetan-3-yl)-N-(6-propan-2-ylcyclohexa-1,5-dien-1-yl)piperidin-4-amine?
The canonical SMILES for 1-(oxetan-3-yl)-N-(6-propan-2-ylcyclohexa-1,5-dien-1-yl)piperidin-4-amine is CC(C)C1=CCCC=C1NC1CCN(C2COC2)CC1.
What is the InChIKey of 1-(oxetan-3-yl)-N-(6-propan-2-ylcyclohexa-1,5-dien-1-yl)piperidin-4-amine?
The InChIKey is LZIZFQCBYBNZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13(2)16-5-3-4-6-17(16)18-14-7-9-19(10-8-14)15-11-20-12-15/h5-6,13-15,18H,3-4,7-12H2,1-2H3.
What are the key properties of 1-(oxetan-3-yl)-N-(6-propan-2-ylcyclohexa-1,5-dien-1-yl)piperidin-4-amine?
1-(oxetan-3-yl)-N-(6-propan-2-ylcyclohexa-1,5-dien-1-yl)piperidin-4-amine has a molecular weight of 276.42 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxetan-3-yl)-N-(6-propan-2-ylcyclohexa-1,5-dien-1-yl)piperidin-4-amine is sourced from PubChem (CID 167456979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).