[4-(2-methylpropoxy)piperidin-1-yl]-piperidin-4-ylmethanone

C15H28N2O2 — CID 119300129

IUPAC[4-(2-methylpropoxy)piperidin-1-yl]-piperidin-4-ylmethanone
SMILESCC(C)COC1CCN(C(=O)C2CCNCC2)CC1
InChIInChI=1S/C15H28N2O2/c1-12(2)11-19-14-5-9-17(10-6-14)15(18)13-3-7-16-8-4-13/h12-14,16H,3-11H2,1-2H3
InChIKeyMVUJCPFHBGXFMR-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.65
Rot. Bonds4

About [4-(2-methylpropoxy)piperidin-1-yl]-piperidin-4-ylmethanone

[4-(2-methylpropoxy)piperidin-1-yl]-piperidin-4-ylmethanone (PubChem CID 119300129) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is [4-(2-methylpropoxy)piperidin-1-yl]-piperidin-4-ylmethanone.

Molecular Properties

Compound Name[4-(2-methylpropoxy)piperidin-1-yl]-piperidin-4-ylmethanone
PubChem CID119300129
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name[4-(2-methylpropoxy)piperidin-1-yl]-piperidin-4-ylmethanone
SMILESCC(C)COC1CCN(C(=O)C2CCNCC2)CC1
InChIInChI=1S/C15H28N2O2/c1-12(2)11-19-14-5-9-17(10-6-14)15(18)13-3-7-16-8-4-13/h12-14,16H,3-11H2,1-2H3
InChIKeyMVUJCPFHBGXFMR-UHFFFAOYSA-N
XLogP1.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpropoxy)piperidin-1-yl]-piperidin-4-ylmethanone?
The IUPAC name of [4-(2-methylpropoxy)piperidin-1-yl]-piperidin-4-ylmethanone (CID 119300129) is [4-(2-methylpropoxy)piperidin-1-yl]-piperidin-4-ylmethanone.
What is the SMILES notation for [4-(2-methylpropoxy)piperidin-1-yl]-piperidin-4-ylmethanone?
The canonical SMILES for [4-(2-methylpropoxy)piperidin-1-yl]-piperidin-4-ylmethanone is CC(C)COC1CCN(C(=O)C2CCNCC2)CC1.
What is the InChIKey of [4-(2-methylpropoxy)piperidin-1-yl]-piperidin-4-ylmethanone?
The InChIKey is MVUJCPFHBGXFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-12(2)11-19-14-5-9-17(10-6-14)15(18)13-3-7-16-8-4-13/h12-14,16H,3-11H2,1-2H3.
What are the key properties of [4-(2-methylpropoxy)piperidin-1-yl]-piperidin-4-ylmethanone?
[4-(2-methylpropoxy)piperidin-1-yl]-piperidin-4-ylmethanone has a molecular weight of 268.40 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpropoxy)piperidin-1-yl]-piperidin-4-ylmethanone is sourced from PubChem (CID 119300129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).