[4-(1,4-diazepan-1-yl)-3-methyl-2,3-dihydrochromen-4-yl]methanol

C16H24N2O2 — CID 104524696

IUPAC[4-(1,4-diazepan-1-yl)-3-methyl-2,3-dihydrochromen-4-yl]methanol
SMILESCC1COc2ccccc2C1(CO)N1CCCNCC1
InChIInChI=1S/C16H24N2O2/c1-13-11-20-15-6-3-2-5-14(15)16(13,12-19)18-9-4-7-17-8-10-18/h2-3,5-6,13,17,19H,4,7-12H2,1H3
InChIKeyFJSIQKZHTGXCJL-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.20
Rot. Bonds2

About [4-(1,4-diazepan-1-yl)-3-methyl-2,3-dihydrochromen-4-yl]methanol

[4-(1,4-diazepan-1-yl)-3-methyl-2,3-dihydrochromen-4-yl]methanol (PubChem CID 104524696) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is [4-(1,4-diazepan-1-yl)-3-methyl-2,3-dihydrochromen-4-yl]methanol.

Molecular Properties

Compound Name[4-(1,4-diazepan-1-yl)-3-methyl-2,3-dihydrochromen-4-yl]methanol
PubChem CID104524696
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name[4-(1,4-diazepan-1-yl)-3-methyl-2,3-dihydrochromen-4-yl]methanol
SMILESCC1COc2ccccc2C1(CO)N1CCCNCC1
InChIInChI=1S/C16H24N2O2/c1-13-11-20-15-6-3-2-5-14(15)16(13,12-19)18-9-4-7-17-8-10-18/h2-3,5-6,13,17,19H,4,7-12H2,1H3
InChIKeyFJSIQKZHTGXCJL-UHFFFAOYSA-N
XLogP1.20
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(1,4-diazepan-1-yl)-3-methyl-2,3-dihydrochromen-4-yl]methanol?
The IUPAC name of [4-(1,4-diazepan-1-yl)-3-methyl-2,3-dihydrochromen-4-yl]methanol (CID 104524696) is [4-(1,4-diazepan-1-yl)-3-methyl-2,3-dihydrochromen-4-yl]methanol.
What is the SMILES notation for [4-(1,4-diazepan-1-yl)-3-methyl-2,3-dihydrochromen-4-yl]methanol?
The canonical SMILES for [4-(1,4-diazepan-1-yl)-3-methyl-2,3-dihydrochromen-4-yl]methanol is CC1COc2ccccc2C1(CO)N1CCCNCC1.
What is the InChIKey of [4-(1,4-diazepan-1-yl)-3-methyl-2,3-dihydrochromen-4-yl]methanol?
The InChIKey is FJSIQKZHTGXCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-13-11-20-15-6-3-2-5-14(15)16(13,12-19)18-9-4-7-17-8-10-18/h2-3,5-6,13,17,19H,4,7-12H2,1H3.
What are the key properties of [4-(1,4-diazepan-1-yl)-3-methyl-2,3-dihydrochromen-4-yl]methanol?
[4-(1,4-diazepan-1-yl)-3-methyl-2,3-dihydrochromen-4-yl]methanol has a molecular weight of 276.38 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,4-diazepan-1-yl)-3-methyl-2,3-dihydrochromen-4-yl]methanol is sourced from PubChem (CID 104524696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).