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

C16H23NO2 — CID 114502722

IUPAC1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-methylpiperidin-4-ol
SMILESCC1CN(CC2OCCc3ccccc32)CCC1O
InChIInChI=1S/C16H23NO2/c1-12-10-17(8-6-15(12)18)11-16-14-5-3-2-4-13(14)7-9-19-16/h2-5,12,15-16,18H,6-11H2,1H3
InChIKeyUQERKSZWPUURSU-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.00
Rot. Bonds2

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

1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-methylpiperidin-4-ol (PubChem CID 114502722) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-methylpiperidin-4-ol
PubChem CID114502722
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-methylpiperidin-4-ol
SMILESCC1CN(CC2OCCc3ccccc32)CCC1O
InChIInChI=1S/C16H23NO2/c1-12-10-17(8-6-15(12)18)11-16-14-5-3-2-4-13(14)7-9-19-16/h2-5,12,15-16,18H,6-11H2,1H3
InChIKeyUQERKSZWPUURSU-UHFFFAOYSA-N
XLogP2.00
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-methylpiperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-ethylpiperidin-4-ol
CID 114511190
(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
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-(4-fluorophenyl)piperazine;dihydrochloride
CID 23288788
1-[1-(3,4-dihydro-1H-isochromen-1-ylmethyl)azetidin-3-yl]triazole
CID 121183845
3-[1-(3,4-dihydro-1H-isochromen-1-ylmethyl)piperidin-4-yl]-6-methoxy-[1,2,4]triazolo[4,3-b]pyridazine
CID 126911601
[1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-4-methylpiperazin-2-yl]methanamine
CID 80506165
2-(chloromethyl)-4-(3,4-dihydro-1H-isochromen-1-ylmethyl)-5-methylmorpholine
CID 81209834
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-1,3-dimethylpiperidin-4-amine
CID 115889758

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-methylpiperidin-4-ol?
The IUPAC name of 1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-methylpiperidin-4-ol (CID 114502722) is 1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-methylpiperidin-4-ol?
The canonical SMILES for 1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-methylpiperidin-4-ol is CC1CN(CC2OCCc3ccccc32)CCC1O.
What is the InChIKey of 1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-methylpiperidin-4-ol?
The InChIKey is UQERKSZWPUURSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12-10-17(8-6-15(12)18)11-16-14-5-3-2-4-13(14)7-9-19-16/h2-5,12,15-16,18H,6-11H2,1H3.
What are the key properties of 1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-methylpiperidin-4-ol?
1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-methylpiperidin-4-ol has a molecular weight of 261.36 g/mol, XLogP of 2.00, 2 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-methylpiperidin-4-ol is sourced from PubChem (CID 114502722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).