(3,5-dimethylpiperidin-1-yl)-(4-methylpiperidin-4-yl)methanone

C14H26N2O — CID 63121475

IUPAC(3,5-dimethylpiperidin-1-yl)-(4-methylpiperidin-4-yl)methanone
SMILESCC1CC(C)CN(C(=O)C2(C)CCNCC2)C1
InChIInChI=1S/C14H26N2O/c1-11-8-12(2)10-16(9-11)13(17)14(3)4-6-15-7-5-14/h11-12,15H,4-10H2,1-3H3
InChIKeyLTEQKEPNIXMCGM-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.88
Rot. Bonds1

About (3,5-dimethylpiperidin-1-yl)-(4-methylpiperidin-4-yl)methanone

(3,5-dimethylpiperidin-1-yl)-(4-methylpiperidin-4-yl)methanone (PubChem CID 63121475) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is (3,5-dimethylpiperidin-1-yl)-(4-methylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethylpiperidin-1-yl)-(4-methylpiperidin-4-yl)methanone
PubChem CID63121475
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name(3,5-dimethylpiperidin-1-yl)-(4-methylpiperidin-4-yl)methanone
SMILESCC1CC(C)CN(C(=O)C2(C)CCNCC2)C1
InChIInChI=1S/C14H26N2O/c1-11-8-12(2)10-16(9-11)13(17)14(3)4-6-15-7-5-14/h11-12,15H,4-10H2,1-3H3
InChIKeyLTEQKEPNIXMCGM-UHFFFAOYSA-N
XLogP1.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpiperidin-1-yl)-(4-methylpiperidin-4-yl)methanone?
The IUPAC name of (3,5-dimethylpiperidin-1-yl)-(4-methylpiperidin-4-yl)methanone (CID 63121475) is (3,5-dimethylpiperidin-1-yl)-(4-methylpiperidin-4-yl)methanone.
What is the SMILES notation for (3,5-dimethylpiperidin-1-yl)-(4-methylpiperidin-4-yl)methanone?
The canonical SMILES for (3,5-dimethylpiperidin-1-yl)-(4-methylpiperidin-4-yl)methanone is CC1CC(C)CN(C(=O)C2(C)CCNCC2)C1.
What is the InChIKey of (3,5-dimethylpiperidin-1-yl)-(4-methylpiperidin-4-yl)methanone?
The InChIKey is LTEQKEPNIXMCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-11-8-12(2)10-16(9-11)13(17)14(3)4-6-15-7-5-14/h11-12,15H,4-10H2,1-3H3.
What are the key properties of (3,5-dimethylpiperidin-1-yl)-(4-methylpiperidin-4-yl)methanone?
(3,5-dimethylpiperidin-1-yl)-(4-methylpiperidin-4-yl)methanone has a molecular weight of 238.37 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpiperidin-1-yl)-(4-methylpiperidin-4-yl)methanone is sourced from PubChem (CID 63121475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).