1-(3,4-dihydro-2H-chromen-8-yl)-1-piperidin-3-ylethanol

C16H23NO2 — CID 114743230

IUPAC1-(3,4-dihydro-2H-chromen-8-yl)-1-piperidin-3-ylethanol
SMILESCC(O)(c1cccc2c1OCCC2)C1CCCNC1
InChIInChI=1S/C16H23NO2/c1-16(18,13-7-3-9-17-11-13)14-8-2-5-12-6-4-10-19-15(12)14/h2,5,8,13,17-18H,3-4,6-7,9-11H2,1H3
InChIKeyXNWHDVVSGPACNZ-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.22
Rot. Bonds2

About 1-(3,4-dihydro-2H-chromen-8-yl)-1-piperidin-3-ylethanol

1-(3,4-dihydro-2H-chromen-8-yl)-1-piperidin-3-ylethanol (PubChem CID 114743230) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-8-yl)-1-piperidin-3-ylethanol.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-8-yl)-1-piperidin-3-ylethanol
PubChem CID114743230
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name1-(3,4-dihydro-2H-chromen-8-yl)-1-piperidin-3-ylethanol
SMILESCC(O)(c1cccc2c1OCCC2)C1CCCNC1
InChIInChI=1S/C16H23NO2/c1-16(18,13-7-3-9-17-11-13)14-8-2-5-12-6-4-10-19-15(12)14/h2,5,8,13,17-18H,3-4,6-7,9-11H2,1H3
InChIKeyXNWHDVVSGPACNZ-UHFFFAOYSA-N
XLogP2.22
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(3,4-dihydro-2H-chromen-8-yl)-1-fluoroethyl]piperidine
CID 114747708
3-(3,4-dihydro-2H-chromen-8-yl)-3-methylbutan-1-amine
CID 114747537
3-[1-(3,4-dihydro-2H-chromen-8-yl)-1-hydroxyethyl]benzonitrile
CID 114743649
1-(2,5-dimethylphenyl)-1-piperidin-3-ylethanol
CID 63586450
2-[2-(3,4-dihydro-2H-chromen-8-yl)propan-2-yl]-5-methylcyclohexan-1-ol
CID 114747022
1-amino-2-(3,4-dihydro-2H-chromen-8-yl)butan-2-ol
CID 114743669
1-(3,4-dihydro-2H-chromen-8-yl)-1-(furan-3-yl)ethanol
CID 114743643
1-(4-tert-butylphenyl)-1-piperidin-3-ylethanol
CID 63586623
1-(3,4-dihydro-2H-chromen-8-yl)-1-(2-methylphenyl)ethanamine
CID 114743820
1-piperidin-3-yl-1-(2,3,4-trifluorophenyl)ethanol
CID 63587550
1-(2-fluoro-5-methylphenyl)-1-piperidin-3-ylethanol
CID 63586093
1-(2-methylphenyl)-1-pyrrolidin-3-ylethanol
CID 105457980

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-1-piperidin-3-ylethanol?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-1-piperidin-3-ylethanol (CID 114743230) is 1-(3,4-dihydro-2H-chromen-8-yl)-1-piperidin-3-ylethanol.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-8-yl)-1-piperidin-3-ylethanol?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-8-yl)-1-piperidin-3-ylethanol is CC(O)(c1cccc2c1OCCC2)C1CCCNC1.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-8-yl)-1-piperidin-3-ylethanol?
The InChIKey is XNWHDVVSGPACNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-16(18,13-7-3-9-17-11-13)14-8-2-5-12-6-4-10-19-15(12)14/h2,5,8,13,17-18H,3-4,6-7,9-11H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-8-yl)-1-piperidin-3-ylethanol?
1-(3,4-dihydro-2H-chromen-8-yl)-1-piperidin-3-ylethanol has a molecular weight of 261.36 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-8-yl)-1-piperidin-3-ylethanol is sourced from PubChem (CID 114743230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).