4-(2-methylpropoxy)-1-propan-2-ylpiperidine

C12H25NO — CID 58547159

IUPAC4-(2-methylpropoxy)-1-propan-2-ylpiperidine
SMILESCC(C)COC1CCN(C(C)C)CC1
InChIInChI=1S/C12H25NO/c1-10(2)9-14-12-5-7-13(8-6-12)11(3)4/h10-12H,5-9H2,1-4H3
InChIKeyQBJJLQXYGMUVLZ-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.53
Rot. Bonds4

About 4-(2-methylpropoxy)-1-propan-2-ylpiperidine

4-(2-methylpropoxy)-1-propan-2-ylpiperidine (PubChem CID 58547159) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 4-(2-methylpropoxy)-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-(2-methylpropoxy)-1-propan-2-ylpiperidine
PubChem CID58547159
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name4-(2-methylpropoxy)-1-propan-2-ylpiperidine
SMILESCC(C)COC1CCN(C(C)C)CC1
InChIInChI=1S/C12H25NO/c1-10(2)9-14-12-5-7-13(8-6-12)11(3)4/h10-12H,5-9H2,1-4H3
InChIKeyQBJJLQXYGMUVLZ-UHFFFAOYSA-N
XLogP2.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropoxy)-1-propan-2-ylpiperidine?
The IUPAC name of 4-(2-methylpropoxy)-1-propan-2-ylpiperidine (CID 58547159) is 4-(2-methylpropoxy)-1-propan-2-ylpiperidine.
What is the SMILES notation for 4-(2-methylpropoxy)-1-propan-2-ylpiperidine?
The canonical SMILES for 4-(2-methylpropoxy)-1-propan-2-ylpiperidine is CC(C)COC1CCN(C(C)C)CC1.
What is the InChIKey of 4-(2-methylpropoxy)-1-propan-2-ylpiperidine?
The InChIKey is QBJJLQXYGMUVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-10(2)9-14-12-5-7-13(8-6-12)11(3)4/h10-12H,5-9H2,1-4H3.
What are the key properties of 4-(2-methylpropoxy)-1-propan-2-ylpiperidine?
4-(2-methylpropoxy)-1-propan-2-ylpiperidine has a molecular weight of 199.34 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropoxy)-1-propan-2-ylpiperidine is sourced from PubChem (CID 58547159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).