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

C17H22N2O — CID 10378448

IUPAC2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]propan-2-ol
SMILESCN1CC=C(c2c[nH]c3ccc(C(C)(C)O)cc23)CC1
InChIInChI=1S/C17H22N2O/c1-17(2,20)13-4-5-16-14(10-13)15(11-18-16)12-6-8-19(3)9-7-12/h4-6,10-11,18,20H,7-9H2,1-3H3
InChIKeyJGIJTOUALACMKQ-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.11
Rot. Bonds2

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

2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]propan-2-ol (PubChem CID 10378448) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]propan-2-ol
PubChem CID10378448
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]propan-2-ol
SMILESCN1CC=C(c2c[nH]c3ccc(C(C)(C)O)cc23)CC1
InChIInChI=1S/C17H22N2O/c1-17(2,20)13-4-5-16-14(10-13)15(11-18-16)12-6-8-19(3)9-7-12/h4-6,10-11,18,20H,7-9H2,1-3H3
InChIKeyJGIJTOUALACMKQ-UHFFFAOYSA-N
XLogP3.11
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]propan-2-ol?
The IUPAC name of 2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]propan-2-ol (CID 10378448) is 2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]propan-2-ol.
What is the SMILES notation for 2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]propan-2-ol?
The canonical SMILES for 2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]propan-2-ol is CN1CC=C(c2c[nH]c3ccc(C(C)(C)O)cc23)CC1.
What is the InChIKey of 2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]propan-2-ol?
The InChIKey is JGIJTOUALACMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-17(2,20)13-4-5-16-14(10-13)15(11-18-16)12-6-8-19(3)9-7-12/h4-6,10-11,18,20H,7-9H2,1-3H3.
What are the key properties of 2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]propan-2-ol?
2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]propan-2-ol has a molecular weight of 270.38 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]propan-2-ol is sourced from PubChem (CID 10378448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).