3-[1-(2-methylpropyl)piperidin-4-yl]oxy-N-propan-2-ylcyclobutan-1-amine

C16H32N2O — CID 134489417

IUPAC3-[1-(2-methylpropyl)piperidin-4-yl]oxy-N-propan-2-ylcyclobutan-1-amine
SMILESCC(C)CN1CCC(OC2CC(NC(C)C)C2)CC1
InChIInChI=1S/C16H32N2O/c1-12(2)11-18-7-5-15(6-8-18)19-16-9-14(10-16)17-13(3)4/h12-17H,5-11H2,1-4H3
InChIKeyANZLCPYHSCNKEB-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.65
Rot. Bonds6

About 3-[1-(2-methylpropyl)piperidin-4-yl]oxy-N-propan-2-ylcyclobutan-1-amine

3-[1-(2-methylpropyl)piperidin-4-yl]oxy-N-propan-2-ylcyclobutan-1-amine (PubChem CID 134489417) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 3-[1-(2-methylpropyl)piperidin-4-yl]oxy-N-propan-2-ylcyclobutan-1-amine.

Molecular Properties

Compound Name3-[1-(2-methylpropyl)piperidin-4-yl]oxy-N-propan-2-ylcyclobutan-1-amine
PubChem CID134489417
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name3-[1-(2-methylpropyl)piperidin-4-yl]oxy-N-propan-2-ylcyclobutan-1-amine
SMILESCC(C)CN1CCC(OC2CC(NC(C)C)C2)CC1
InChIInChI=1S/C16H32N2O/c1-12(2)11-18-7-5-15(6-8-18)19-16-9-14(10-16)17-13(3)4/h12-17H,5-11H2,1-4H3
InChIKeyANZLCPYHSCNKEB-UHFFFAOYSA-N
XLogP2.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methylpropyl)piperidin-4-yl]oxy-N-propan-2-ylcyclobutan-1-amine?
The IUPAC name of 3-[1-(2-methylpropyl)piperidin-4-yl]oxy-N-propan-2-ylcyclobutan-1-amine (CID 134489417) is 3-[1-(2-methylpropyl)piperidin-4-yl]oxy-N-propan-2-ylcyclobutan-1-amine.
What is the SMILES notation for 3-[1-(2-methylpropyl)piperidin-4-yl]oxy-N-propan-2-ylcyclobutan-1-amine?
The canonical SMILES for 3-[1-(2-methylpropyl)piperidin-4-yl]oxy-N-propan-2-ylcyclobutan-1-amine is CC(C)CN1CCC(OC2CC(NC(C)C)C2)CC1.
What is the InChIKey of 3-[1-(2-methylpropyl)piperidin-4-yl]oxy-N-propan-2-ylcyclobutan-1-amine?
The InChIKey is ANZLCPYHSCNKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-12(2)11-18-7-5-15(6-8-18)19-16-9-14(10-16)17-13(3)4/h12-17H,5-11H2,1-4H3.
What are the key properties of 3-[1-(2-methylpropyl)piperidin-4-yl]oxy-N-propan-2-ylcyclobutan-1-amine?
3-[1-(2-methylpropyl)piperidin-4-yl]oxy-N-propan-2-ylcyclobutan-1-amine has a molecular weight of 268.44 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methylpropyl)piperidin-4-yl]oxy-N-propan-2-ylcyclobutan-1-amine is sourced from PubChem (CID 134489417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).