1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-ethylpiperidin-4-ol

C17H25NO2 — CID 114511190

IUPAC1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-ethylpiperidin-4-ol
SMILESCCC1CN(CC2OCCc3ccccc32)CCC1O
InChIInChI=1S/C17H25NO2/c1-2-13-11-18(9-7-16(13)19)12-17-15-6-4-3-5-14(15)8-10-20-17/h3-6,13,16-17,19H,2,7-12H2,1H3
InChIKeyBWWCOFRCICBPOM-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.39
Rot. Bonds3

About 1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-ethylpiperidin-4-ol

1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-ethylpiperidin-4-ol (PubChem CID 114511190) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-ethylpiperidin-4-ol.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-ethylpiperidin-4-ol
PubChem CID114511190
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-ethylpiperidin-4-ol
SMILESCCC1CN(CC2OCCc3ccccc32)CCC1O
InChIInChI=1S/C17H25NO2/c1-2-13-11-18(9-7-16(13)19)12-17-15-6-4-3-5-14(15)8-10-20-17/h3-6,13,16-17,19H,2,7-12H2,1H3
InChIKeyBWWCOFRCICBPOM-UHFFFAOYSA-N
XLogP2.39
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-methylpiperidin-4-ol
CID 114502722
(3S)-1-(3,4-dihydro-1H-isochromen-1-ylmethyl)pyrrolidin-3-amine
CID 115302560
2-[1-(3,4-dihydro-1H-isochromen-1-ylmethyl)pyrrolidin-3-yl]ethanol
CID 115648056
3-(bromomethyl)-1-(3,4-dihydro-1H-isochromen-1-ylmethyl)piperidine
CID 80679410
1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-propan-2-yl-1,4-diazepane
CID 64857061
1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-4-(4-fluorophenyl)piperazine;dihydrochloride
CID 23288788
1-[1-(3,4-dihydro-1H-isochromen-1-ylmethyl)azetidin-3-yl]triazole
CID 121183845
5-cyclopropyl-3-[1-(3,4-dihydro-1H-isochromen-1-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole
CID 71928571
[1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-4-methylpiperazin-2-yl]methanamine
CID 80506165
1-benzyl-3-ethylpiperidin-4-ol
CID 23003710
N-[1-(3,4-dihydro-1H-isochromen-1-ylmethyl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine
CID 126889359
2-(bromomethyl)-1-(3,4-dihydro-1H-isochromen-1-ylmethyl)pyrrolidine
CID 80668981

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-ethylpiperidin-4-ol?
The IUPAC name of 1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-ethylpiperidin-4-ol (CID 114511190) is 1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-ethylpiperidin-4-ol.
What is the SMILES notation for 1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-ethylpiperidin-4-ol?
The canonical SMILES for 1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-ethylpiperidin-4-ol is CCC1CN(CC2OCCc3ccccc32)CCC1O.
What is the InChIKey of 1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-ethylpiperidin-4-ol?
The InChIKey is BWWCOFRCICBPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-2-13-11-18(9-7-16(13)19)12-17-15-6-4-3-5-14(15)8-10-20-17/h3-6,13,16-17,19H,2,7-12H2,1H3.
What are the key properties of 1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-ethylpiperidin-4-ol?
1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-ethylpiperidin-4-ol has a molecular weight of 275.39 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-ethylpiperidin-4-ol is sourced from PubChem (CID 114511190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).