1-[(1,4-dimethylpiperidin-4-yl)methyl]-2,5-dimethyl-3,6-dimethylidenepiperidine

C17H30N2 — CID 59948066

IUPAC1-[(1,4-dimethylpiperidin-4-yl)methyl]-2,5-dimethyl-3,6-dimethylidenepiperidine
SMILESC=C1CC(C)C(=C)N(CC2(C)CCN(C)CC2)C1C
InChIInChI=1S/C17H30N2/c1-13-11-14(2)16(4)19(15(13)3)12-17(5)7-9-18(6)10-8-17/h14-15H,1,4,7-12H2,2-3,5-6H3
InChIKeyNAELLRWQXJDAEN-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.52
Rot. Bonds2

About 1-[(1,4-dimethylpiperidin-4-yl)methyl]-2,5-dimethyl-3,6-dimethylidenepiperidine

1-[(1,4-dimethylpiperidin-4-yl)methyl]-2,5-dimethyl-3,6-dimethylidenepiperidine (PubChem CID 59948066) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 1-[(1,4-dimethylpiperidin-4-yl)methyl]-2,5-dimethyl-3,6-dimethylidenepiperidine.

Molecular Properties

Compound Name1-[(1,4-dimethylpiperidin-4-yl)methyl]-2,5-dimethyl-3,6-dimethylidenepiperidine
PubChem CID59948066
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name1-[(1,4-dimethylpiperidin-4-yl)methyl]-2,5-dimethyl-3,6-dimethylidenepiperidine
SMILESC=C1CC(C)C(=C)N(CC2(C)CCN(C)CC2)C1C
InChIInChI=1S/C17H30N2/c1-13-11-14(2)16(4)19(15(13)3)12-17(5)7-9-18(6)10-8-17/h14-15H,1,4,7-12H2,2-3,5-6H3
InChIKeyNAELLRWQXJDAEN-UHFFFAOYSA-N
XLogP3.52
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(1,4-dimethylpiperidin-4-yl)methyl]-2,5-dimethyl-3,6-dimethylidenepiperidine?
The IUPAC name of 1-[(1,4-dimethylpiperidin-4-yl)methyl]-2,5-dimethyl-3,6-dimethylidenepiperidine (CID 59948066) is 1-[(1,4-dimethylpiperidin-4-yl)methyl]-2,5-dimethyl-3,6-dimethylidenepiperidine.
What is the SMILES notation for 1-[(1,4-dimethylpiperidin-4-yl)methyl]-2,5-dimethyl-3,6-dimethylidenepiperidine?
The canonical SMILES for 1-[(1,4-dimethylpiperidin-4-yl)methyl]-2,5-dimethyl-3,6-dimethylidenepiperidine is C=C1CC(C)C(=C)N(CC2(C)CCN(C)CC2)C1C.
What is the InChIKey of 1-[(1,4-dimethylpiperidin-4-yl)methyl]-2,5-dimethyl-3,6-dimethylidenepiperidine?
The InChIKey is NAELLRWQXJDAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-13-11-14(2)16(4)19(15(13)3)12-17(5)7-9-18(6)10-8-17/h14-15H,1,4,7-12H2,2-3,5-6H3.
What are the key properties of 1-[(1,4-dimethylpiperidin-4-yl)methyl]-2,5-dimethyl-3,6-dimethylidenepiperidine?
1-[(1,4-dimethylpiperidin-4-yl)methyl]-2,5-dimethyl-3,6-dimethylidenepiperidine has a molecular weight of 262.44 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,4-dimethylpiperidin-4-yl)methyl]-2,5-dimethyl-3,6-dimethylidenepiperidine is sourced from PubChem (CID 59948066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).