1-methyl-2-(3-propan-2-yl-3,4-dihydro-2H-chromen-7-yl)piperidine

C18H27NO — CID 91107611

IUPAC1-methyl-2-(3-propan-2-yl-3,4-dihydro-2H-chromen-7-yl)piperidine
SMILESCC(C)C1COc2cc(C3CCCCN3C)ccc2C1
InChIInChI=1S/C18H27NO/c1-13(2)16-10-15-8-7-14(11-18(15)20-12-16)17-6-4-5-9-19(17)3/h7-8,11,13,16-17H,4-6,9-10,12H2,1-3H3
InChIKeyGWBJYEMNZXURKR-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.05
Rot. Bonds2

About 1-methyl-2-(3-propan-2-yl-3,4-dihydro-2H-chromen-7-yl)piperidine

1-methyl-2-(3-propan-2-yl-3,4-dihydro-2H-chromen-7-yl)piperidine (PubChem CID 91107611) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-methyl-2-(3-propan-2-yl-3,4-dihydro-2H-chromen-7-yl)piperidine.

Molecular Properties

Compound Name1-methyl-2-(3-propan-2-yl-3,4-dihydro-2H-chromen-7-yl)piperidine
PubChem CID91107611
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name1-methyl-2-(3-propan-2-yl-3,4-dihydro-2H-chromen-7-yl)piperidine
SMILESCC(C)C1COc2cc(C3CCCCN3C)ccc2C1
InChIInChI=1S/C18H27NO/c1-13(2)16-10-15-8-7-14(11-18(15)20-12-16)17-6-4-5-9-19(17)3/h7-8,11,13,16-17H,4-6,9-10,12H2,1-3H3
InChIKeyGWBJYEMNZXURKR-UHFFFAOYSA-N
XLogP4.05
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(3-propan-2-yl-3,4-dihydro-2H-chromen-7-yl)piperidine?
The IUPAC name of 1-methyl-2-(3-propan-2-yl-3,4-dihydro-2H-chromen-7-yl)piperidine (CID 91107611) is 1-methyl-2-(3-propan-2-yl-3,4-dihydro-2H-chromen-7-yl)piperidine.
What is the SMILES notation for 1-methyl-2-(3-propan-2-yl-3,4-dihydro-2H-chromen-7-yl)piperidine?
The canonical SMILES for 1-methyl-2-(3-propan-2-yl-3,4-dihydro-2H-chromen-7-yl)piperidine is CC(C)C1COc2cc(C3CCCCN3C)ccc2C1.
What is the InChIKey of 1-methyl-2-(3-propan-2-yl-3,4-dihydro-2H-chromen-7-yl)piperidine?
The InChIKey is GWBJYEMNZXURKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-13(2)16-10-15-8-7-14(11-18(15)20-12-16)17-6-4-5-9-19(17)3/h7-8,11,13,16-17H,4-6,9-10,12H2,1-3H3.
What are the key properties of 1-methyl-2-(3-propan-2-yl-3,4-dihydro-2H-chromen-7-yl)piperidine?
1-methyl-2-(3-propan-2-yl-3,4-dihydro-2H-chromen-7-yl)piperidine has a molecular weight of 273.42 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(3-propan-2-yl-3,4-dihydro-2H-chromen-7-yl)piperidine is sourced from PubChem (CID 91107611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).