1-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]ethanol

C16H20N2O — CID 10060979

IUPAC1-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]ethanol
SMILESCC(O)c1ccc2[nH]cc(C3=CCN(C)CC3)c2c1
InChIInChI=1S/C16H20N2O/c1-11(19)13-3-4-16-14(9-13)15(10-17-16)12-5-7-18(2)8-6-12/h3-5,9-11,17,19H,6-8H2,1-2H3
InChIKeyPSVDVBKNSYJLGX-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.94
Rot. Bonds2

About 1-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]ethanol

1-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]ethanol (PubChem CID 10060979) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]ethanol.

Molecular Properties

Compound Name1-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]ethanol
PubChem CID10060979
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]ethanol
SMILESCC(O)c1ccc2[nH]cc(C3=CCN(C)CC3)c2c1
InChIInChI=1S/C16H20N2O/c1-11(19)13-3-4-16-14(9-13)15(10-17-16)12-5-7-18(2)8-6-12/h3-5,9-11,17,19H,6-8H2,1-2H3
InChIKeyPSVDVBKNSYJLGX-UHFFFAOYSA-N
XLogP2.94
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]ethanol?
The IUPAC name of 1-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]ethanol (CID 10060979) is 1-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]ethanol.
What is the SMILES notation for 1-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]ethanol?
The canonical SMILES for 1-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]ethanol is CC(O)c1ccc2[nH]cc(C3=CCN(C)CC3)c2c1.
What is the InChIKey of 1-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]ethanol?
The InChIKey is PSVDVBKNSYJLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-11(19)13-3-4-16-14(9-13)15(10-17-16)12-5-7-18(2)8-6-12/h3-5,9-11,17,19H,6-8H2,1-2H3.
What are the key properties of 1-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]ethanol?
1-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]ethanol has a molecular weight of 256.35 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]ethanol is sourced from PubChem (CID 10060979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).