(4-methylpiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone

C14H27N3O — CID 90447182

IUPAC(4-methylpiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC1CCN(C(=O)N2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C14H27N3O/c1-12(2)15-8-10-17(11-9-15)14(18)16-6-4-13(3)5-7-16/h12-13H,4-11H2,1-3H3
InChIKeyJHHBLFCJFLWHHN-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.86
Rot. Bonds1

About (4-methylpiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone

(4-methylpiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 90447182) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID90447182
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name(4-methylpiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC1CCN(C(=O)N2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C14H27N3O/c1-12(2)15-8-10-17(11-9-15)14(18)16-6-4-13(3)5-7-16/h12-13H,4-11H2,1-3H3
InChIKeyJHHBLFCJFLWHHN-UHFFFAOYSA-N
XLogP1.86
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone (CID 90447182) is (4-methylpiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone is CC1CCN(C(=O)N2CCN(C(C)C)CC2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is JHHBLFCJFLWHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-12(2)15-8-10-17(11-9-15)14(18)16-6-4-13(3)5-7-16/h12-13H,4-11H2,1-3H3.
What are the key properties of (4-methylpiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
(4-methylpiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 253.39 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 90447182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).