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

C17H25NO3 — CID 82188705

IUPAC8-ethoxy-4-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol
SMILESCCOc1cccc2c1OCC(O)C2N1CCCCC1C
InChIInChI=1S/C17H25NO3/c1-3-20-15-9-6-8-13-16(14(19)11-21-17(13)15)18-10-5-4-7-12(18)2/h6,8-9,12,14,16,19H,3-5,7,10-11H2,1-2H3
InChIKeyQKEBYFUPMIPRRC-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.75
Rot. Bonds3

About 8-ethoxy-4-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol

8-ethoxy-4-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol (PubChem CID 82188705) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 8-ethoxy-4-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol.

Molecular Properties

Compound Name8-ethoxy-4-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol
PubChem CID82188705
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name8-ethoxy-4-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol
SMILESCCOc1cccc2c1OCC(O)C2N1CCCCC1C
InChIInChI=1S/C17H25NO3/c1-3-20-15-9-6-8-13-16(14(19)11-21-17(13)15)18-10-5-4-7-12(18)2/h6,8-9,12,14,16,19H,3-5,7,10-11H2,1-2H3
InChIKeyQKEBYFUPMIPRRC-UHFFFAOYSA-N
XLogP2.75
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-methoxy-4-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol
CID 82188687
4-(2-ethylpiperidin-1-yl)-8-methyl-3,4-dihydro-2H-chromen-3-ol
CID 82188387
4-(azepan-1-yl)-8-methoxy-3,4-dihydro-2H-chromen-3-ol
CID 82188688
(5S)-9-ethoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
CID 79014330
8-methoxy-3-[(2-methylpiperidin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 82188227
2-(2-ethoxyphenyl)-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 134503396
8-chloro-4-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-3-ol
CID 82188575
N-cyclopropyl-9-ethoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43512365
2-ethoxy-4-[[(2R)-2-methylpiperidin-1-yl]methyl]phenol
CID 783162
2-(2-ethoxyphenyl)cyclopentan-1-ol
CID 62801074
(3S)-8-ethoxy-3,4-dihydro-2H-chromen-3-amine
CID 96753063
N-[(2-ethoxyphenyl)methyl]-2-methylpiperidine-1-carboxamide
CID 47376286

Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-4-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol?
The IUPAC name of 8-ethoxy-4-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol (CID 82188705) is 8-ethoxy-4-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol.
What is the SMILES notation for 8-ethoxy-4-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol?
The canonical SMILES for 8-ethoxy-4-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol is CCOc1cccc2c1OCC(O)C2N1CCCCC1C.
What is the InChIKey of 8-ethoxy-4-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol?
The InChIKey is QKEBYFUPMIPRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-3-20-15-9-6-8-13-16(14(19)11-21-17(13)15)18-10-5-4-7-12(18)2/h6,8-9,12,14,16,19H,3-5,7,10-11H2,1-2H3.
What are the key properties of 8-ethoxy-4-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol?
8-ethoxy-4-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol has a molecular weight of 291.39 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-4-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol is sourced from PubChem (CID 82188705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).