(2,4-dimethylpiperidin-1-yl)-(3-methylpiperidin-1-yl)methanone

C14H26N2O — CID 116655527

IUPAC(2,4-dimethylpiperidin-1-yl)-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)N2CCCC(C)C2)C(C)C1
InChIInChI=1S/C14H26N2O/c1-11-6-8-16(13(3)9-11)14(17)15-7-4-5-12(2)10-15/h11-13H,4-10H2,1-3H3
InChIKeyMXKDCYSDVYQSMY-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.96
Rot. Bonds

About (2,4-dimethylpiperidin-1-yl)-(3-methylpiperidin-1-yl)methanone

(2,4-dimethylpiperidin-1-yl)-(3-methylpiperidin-1-yl)methanone (PubChem CID 116655527) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is (2,4-dimethylpiperidin-1-yl)-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2,4-dimethylpiperidin-1-yl)-(3-methylpiperidin-1-yl)methanone
PubChem CID116655527
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name(2,4-dimethylpiperidin-1-yl)-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)N2CCCC(C)C2)C(C)C1
InChIInChI=1S/C14H26N2O/c1-11-6-8-16(13(3)9-11)14(17)15-7-4-5-12(2)10-15/h11-13H,4-10H2,1-3H3
InChIKeyMXKDCYSDVYQSMY-UHFFFAOYSA-N
XLogP2.96
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylpiperidin-1-yl)-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of (2,4-dimethylpiperidin-1-yl)-(3-methylpiperidin-1-yl)methanone (CID 116655527) is (2,4-dimethylpiperidin-1-yl)-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (2,4-dimethylpiperidin-1-yl)-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (2,4-dimethylpiperidin-1-yl)-(3-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)N2CCCC(C)C2)C(C)C1.
What is the InChIKey of (2,4-dimethylpiperidin-1-yl)-(3-methylpiperidin-1-yl)methanone?
The InChIKey is MXKDCYSDVYQSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-11-6-8-16(13(3)9-11)14(17)15-7-4-5-12(2)10-15/h11-13H,4-10H2,1-3H3.
What are the key properties of (2,4-dimethylpiperidin-1-yl)-(3-methylpiperidin-1-yl)methanone?
(2,4-dimethylpiperidin-1-yl)-(3-methylpiperidin-1-yl)methanone has a molecular weight of 238.37 g/mol, XLogP of 2.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylpiperidin-1-yl)-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 116655527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).