3-(4-methylazepan-1-yl)-3,4-dihydro-2H-chromen-4-ol

C16H23NO2 — CID 63622299

IUPAC3-(4-methylazepan-1-yl)-3,4-dihydro-2H-chromen-4-ol
SMILESCC1CCCN(C2COc3ccccc3C2O)CC1
InChIInChI=1S/C16H23NO2/c1-12-5-4-9-17(10-8-12)14-11-19-15-7-3-2-6-13(15)16(14)18/h2-3,6-7,12,14,16,18H,4-5,8-11H2,1H3
InChIKeySAUSJYAOSKRPMB-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.60
Rot. Bonds1

About 3-(4-methylazepan-1-yl)-3,4-dihydro-2H-chromen-4-ol

3-(4-methylazepan-1-yl)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 63622299) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 3-(4-methylazepan-1-yl)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name3-(4-methylazepan-1-yl)-3,4-dihydro-2H-chromen-4-ol
PubChem CID63622299
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name3-(4-methylazepan-1-yl)-3,4-dihydro-2H-chromen-4-ol
SMILESCC1CCCN(C2COc3ccccc3C2O)CC1
InChIInChI=1S/C16H23NO2/c1-12-5-4-9-17(10-8-12)14-11-19-15-7-3-2-6-13(15)16(14)18/h2-3,6-7,12,14,16,18H,4-5,8-11H2,1H3
InChIKeySAUSJYAOSKRPMB-UHFFFAOYSA-N
XLogP2.60
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-3-(4-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-ol
CID 82186959
methyl 1-(4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperidine-4-carboxylate
CID 82186516
1-[4-(4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperazin-1-yl]ethanone
CID 82186504
3-[3-(diethylamino)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-4-ol
CID 63165497
1-(4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperidin-4-one
CID 82186520
4-(3-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol
CID 82188367
6-methyl-3-(3-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-ol
CID 82186640
6-ethoxy-3-(3-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-ol
CID 82187138
(3R,4S)-3-[4-[(1S)-1-(2-methoxyphenyl)ethyl]piperazin-1-yl]-3,4-dihydro-2H-chromen-4-ol
CID 100733600
2-(4-methylazepan-1-yl)cyclopentan-1-ol
CID 63622455
4-methyl-2-(3-methylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115419975
6-ethoxy-3-piperidin-1-yl-3,4-dihydro-2H-chromen-4-ol
CID 82187147

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylazepan-1-yl)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 3-(4-methylazepan-1-yl)-3,4-dihydro-2H-chromen-4-ol (CID 63622299) is 3-(4-methylazepan-1-yl)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 3-(4-methylazepan-1-yl)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 3-(4-methylazepan-1-yl)-3,4-dihydro-2H-chromen-4-ol is CC1CCCN(C2COc3ccccc3C2O)CC1.
What is the InChIKey of 3-(4-methylazepan-1-yl)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is SAUSJYAOSKRPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12-5-4-9-17(10-8-12)14-11-19-15-7-3-2-6-13(15)16(14)18/h2-3,6-7,12,14,16,18H,4-5,8-11H2,1H3.
What are the key properties of 3-(4-methylazepan-1-yl)-3,4-dihydro-2H-chromen-4-ol?
3-(4-methylazepan-1-yl)-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 261.36 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylazepan-1-yl)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 63622299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).