2-(2,2-dimethyl-3,4-dihydrochromen-7-yl)-1-methylpiperidine

C17H25NO — CID 90915730

IUPAC2-(2,2-dimethyl-3,4-dihydrochromen-7-yl)-1-methylpiperidine
SMILESCN1CCCCC1c1ccc2c(c1)OC(C)(C)CC2
InChIInChI=1S/C17H25NO/c1-17(2)10-9-13-7-8-14(12-16(13)19-17)15-6-4-5-11-18(15)3/h7-8,12,15H,4-6,9-11H2,1-3H3
InChIKeyWPGMSUJINHTNLK-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.95
Rot. Bonds1

About 2-(2,2-dimethyl-3,4-dihydrochromen-7-yl)-1-methylpiperidine

2-(2,2-dimethyl-3,4-dihydrochromen-7-yl)-1-methylpiperidine (PubChem CID 90915730) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 2-(2,2-dimethyl-3,4-dihydrochromen-7-yl)-1-methylpiperidine.

Molecular Properties

Compound Name2-(2,2-dimethyl-3,4-dihydrochromen-7-yl)-1-methylpiperidine
PubChem CID90915730
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name2-(2,2-dimethyl-3,4-dihydrochromen-7-yl)-1-methylpiperidine
SMILESCN1CCCCC1c1ccc2c(c1)OC(C)(C)CC2
InChIInChI=1S/C17H25NO/c1-17(2)10-9-13-7-8-14(12-16(13)19-17)15-6-4-5-11-18(15)3/h7-8,12,15H,4-6,9-11H2,1-3H3
InChIKeyWPGMSUJINHTNLK-UHFFFAOYSA-N
XLogP3.95
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-3,4-dihydrochromen-7-yl)-1-methylpiperidine?
The IUPAC name of 2-(2,2-dimethyl-3,4-dihydrochromen-7-yl)-1-methylpiperidine (CID 90915730) is 2-(2,2-dimethyl-3,4-dihydrochromen-7-yl)-1-methylpiperidine.
What is the SMILES notation for 2-(2,2-dimethyl-3,4-dihydrochromen-7-yl)-1-methylpiperidine?
The canonical SMILES for 2-(2,2-dimethyl-3,4-dihydrochromen-7-yl)-1-methylpiperidine is CN1CCCCC1c1ccc2c(c1)OC(C)(C)CC2.
What is the InChIKey of 2-(2,2-dimethyl-3,4-dihydrochromen-7-yl)-1-methylpiperidine?
The InChIKey is WPGMSUJINHTNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-17(2)10-9-13-7-8-14(12-16(13)19-17)15-6-4-5-11-18(15)3/h7-8,12,15H,4-6,9-11H2,1-3H3.
What are the key properties of 2-(2,2-dimethyl-3,4-dihydrochromen-7-yl)-1-methylpiperidine?
2-(2,2-dimethyl-3,4-dihydrochromen-7-yl)-1-methylpiperidine has a molecular weight of 259.39 g/mol, XLogP of 3.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-3,4-dihydrochromen-7-yl)-1-methylpiperidine is sourced from PubChem (CID 90915730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).