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

C17H25NO3 — CID 67756928

IUPAC2-(8-methoxy-3,4-dihydro-2H-chromen-2-yl)-2-piperidin-1-ylethanol
SMILESCOc1cccc2c1OC(C(CO)N1CCCCC1)CC2
InChIInChI=1S/C17H25NO3/c1-20-16-7-5-6-13-8-9-15(21-17(13)16)14(12-19)18-10-3-2-4-11-18/h5-7,14-15,19H,2-4,8-12H2,1H3
InChIKeyMFLBRURCAICZNM-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.24
Rot. Bonds4

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

2-(8-methoxy-3,4-dihydro-2H-chromen-2-yl)-2-piperidin-1-ylethanol (PubChem CID 67756928) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-(8-methoxy-3,4-dihydro-2H-chromen-2-yl)-2-piperidin-1-ylethanol.

Molecular Properties

Compound Name2-(8-methoxy-3,4-dihydro-2H-chromen-2-yl)-2-piperidin-1-ylethanol
PubChem CID67756928
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name2-(8-methoxy-3,4-dihydro-2H-chromen-2-yl)-2-piperidin-1-ylethanol
SMILESCOc1cccc2c1OC(C(CO)N1CCCCC1)CC2
InChIInChI=1S/C17H25NO3/c1-20-16-7-5-6-13-8-9-15(21-17(13)16)14(12-19)18-10-3-2-4-11-18/h5-7,14-15,19H,2-4,8-12H2,1H3
InChIKeyMFLBRURCAICZNM-UHFFFAOYSA-N
XLogP2.24
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(8-methoxy-3,4-dihydro-2H-chromen-2-yl)-2-piperidin-1-ylethanol?
The IUPAC name of 2-(8-methoxy-3,4-dihydro-2H-chromen-2-yl)-2-piperidin-1-ylethanol (CID 67756928) is 2-(8-methoxy-3,4-dihydro-2H-chromen-2-yl)-2-piperidin-1-ylethanol.
What is the SMILES notation for 2-(8-methoxy-3,4-dihydro-2H-chromen-2-yl)-2-piperidin-1-ylethanol?
The canonical SMILES for 2-(8-methoxy-3,4-dihydro-2H-chromen-2-yl)-2-piperidin-1-ylethanol is COc1cccc2c1OC(C(CO)N1CCCCC1)CC2.
What is the InChIKey of 2-(8-methoxy-3,4-dihydro-2H-chromen-2-yl)-2-piperidin-1-ylethanol?
The InChIKey is MFLBRURCAICZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-20-16-7-5-6-13-8-9-15(21-17(13)16)14(12-19)18-10-3-2-4-11-18/h5-7,14-15,19H,2-4,8-12H2,1H3.
What are the key properties of 2-(8-methoxy-3,4-dihydro-2H-chromen-2-yl)-2-piperidin-1-ylethanol?
2-(8-methoxy-3,4-dihydro-2H-chromen-2-yl)-2-piperidin-1-ylethanol has a molecular weight of 291.39 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methoxy-3,4-dihydro-2H-chromen-2-yl)-2-piperidin-1-ylethanol is sourced from PubChem (CID 67756928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).