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

C15H21NO2 — CID 82188367

IUPAC4-(3-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol
SMILESCC1CCCN(C2c3ccccc3OCC2O)C1
InChIInChI=1S/C15H21NO2/c1-11-5-4-8-16(9-11)15-12-6-2-3-7-14(12)18-10-13(15)17/h2-3,6-7,11,13,15,17H,4-5,8-10H2,1H3
InChIKeyWRNDXRVIUWSRNY-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.21
Rot. Bonds1

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

4-(3-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol (PubChem CID 82188367) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-(3-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol.

Molecular Properties

Compound Name4-(3-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol
PubChem CID82188367
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name4-(3-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol
SMILESCC1CCCN(C2c3ccccc3OCC2O)C1
InChIInChI=1S/C15H21NO2/c1-11-5-4-8-16(9-11)15-12-6-2-3-7-14(12)18-10-13(15)17/h2-3,6-7,11,13,15,17H,4-5,8-10H2,1H3
InChIKeyWRNDXRVIUWSRNY-UHFFFAOYSA-N
XLogP2.21
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methylazepan-1-yl)-3,4-dihydro-2H-chromen-4-ol
CID 63622299
6-methyl-3-(3-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-ol
CID 82186640
4-methyl-2-(3-methylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115419975
6-ethoxy-3-(3-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-ol
CID 82187138
1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)pyrrolidine-2-carboxylic acid
CID 104524796
1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]pyrrolidine
CID 125478085
[1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperidin-4-yl]methanamine
CID 104524556
3-[methyl-(1-methylpiperidin-3-yl)amino]-3,4-dihydro-2H-chromen-4-ol
CID 62545588
2,3-dihydro-1-benzofuran-3-ol
CID 585896
1-(3-methylpiperidin-1-yl)-2,3-dihydro-1H-inden-4-ol
CID 82974804
8-chloro-4-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-3-ol
CID 82188575
3-[3-(diethylamino)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-4-ol
CID 63165497

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol?
The IUPAC name of 4-(3-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol (CID 82188367) is 4-(3-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol.
What is the SMILES notation for 4-(3-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol?
The canonical SMILES for 4-(3-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol is CC1CCCN(C2c3ccccc3OCC2O)C1.
What is the InChIKey of 4-(3-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol?
The InChIKey is WRNDXRVIUWSRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11-5-4-8-16(9-11)15-12-6-2-3-7-14(12)18-10-13(15)17/h2-3,6-7,11,13,15,17H,4-5,8-10H2,1H3.
What are the key properties of 4-(3-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol?
4-(3-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol has a molecular weight of 247.34 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol is sourced from PubChem (CID 82188367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).