(3,4-dimethylpiperazin-1-yl)-piperidin-1-ylmethanone

C12H23N3O — CID 91375448

IUPAC(3,4-dimethylpiperazin-1-yl)-piperidin-1-ylmethanone
SMILESCC1CN(C(=O)N2CCCCC2)CCN1C
InChIInChI=1S/C12H23N3O/c1-11-10-15(9-8-13(11)2)12(16)14-6-4-3-5-7-14/h11H,3-10H2,1-2H3
InChIKeyGXXFLRYWHATDEN-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.23
Rot. Bonds

About (3,4-dimethylpiperazin-1-yl)-piperidin-1-ylmethanone

(3,4-dimethylpiperazin-1-yl)-piperidin-1-ylmethanone (PubChem CID 91375448) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is (3,4-dimethylpiperazin-1-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(3,4-dimethylpiperazin-1-yl)-piperidin-1-ylmethanone
PubChem CID91375448
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name(3,4-dimethylpiperazin-1-yl)-piperidin-1-ylmethanone
SMILESCC1CN(C(=O)N2CCCCC2)CCN1C
InChIInChI=1S/C12H23N3O/c1-11-10-15(9-8-13(11)2)12(16)14-6-4-3-5-7-14/h11H,3-10H2,1-2H3
InChIKeyGXXFLRYWHATDEN-UHFFFAOYSA-N
XLogP1.23
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylpiperazin-1-yl)-piperidin-1-ylmethanone?
The IUPAC name of (3,4-dimethylpiperazin-1-yl)-piperidin-1-ylmethanone (CID 91375448) is (3,4-dimethylpiperazin-1-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (3,4-dimethylpiperazin-1-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (3,4-dimethylpiperazin-1-yl)-piperidin-1-ylmethanone is CC1CN(C(=O)N2CCCCC2)CCN1C.
What is the InChIKey of (3,4-dimethylpiperazin-1-yl)-piperidin-1-ylmethanone?
The InChIKey is GXXFLRYWHATDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-11-10-15(9-8-13(11)2)12(16)14-6-4-3-5-7-14/h11H,3-10H2,1-2H3.
What are the key properties of (3,4-dimethylpiperazin-1-yl)-piperidin-1-ylmethanone?
(3,4-dimethylpiperazin-1-yl)-piperidin-1-ylmethanone has a molecular weight of 225.34 g/mol, XLogP of 1.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylpiperazin-1-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 91375448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).