4-(2,3-dihydro-1H-indol-2-yl)-1-methylazepan-4-ol

C15H22N2O — CID 65075178

IUPAC4-(2,3-dihydro-1H-indol-2-yl)-1-methylazepan-4-ol
SMILESCN1CCCC(O)(C2Cc3ccccc3N2)CC1
InChIInChI=1S/C15H22N2O/c1-17-9-4-7-15(18,8-10-17)14-11-12-5-2-3-6-13(12)16-14/h2-3,5-6,14,16,18H,4,7-11H2,1H3
InChIKeyDGOJDBJMTGQTOR-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.87
Rot. Bonds1

About 4-(2,3-dihydro-1H-indol-2-yl)-1-methylazepan-4-ol

4-(2,3-dihydro-1H-indol-2-yl)-1-methylazepan-4-ol (PubChem CID 65075178) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-indol-2-yl)-1-methylazepan-4-ol.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-indol-2-yl)-1-methylazepan-4-ol
PubChem CID65075178
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name4-(2,3-dihydro-1H-indol-2-yl)-1-methylazepan-4-ol
SMILESCN1CCCC(O)(C2Cc3ccccc3N2)CC1
InChIInChI=1S/C15H22N2O/c1-17-9-4-7-15(18,8-10-17)14-11-12-5-2-3-6-13(12)16-14/h2-3,5-6,14,16,18H,4,7-11H2,1H3
InChIKeyDGOJDBJMTGQTOR-UHFFFAOYSA-N
XLogP1.87
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-dihydro-1H-indol-2-yl)-1-ethylazepan-4-ol
CID 65077653
1-(2,3-dihydro-1H-indol-2-yl)-4,4-dimethylcycloheptan-1-ol
CID 65086096
3-amino-1-(2,3-dihydro-1H-indol-2-yl)cyclohexan-1-ol
CID 80561154
1-(1,2,3,4-tetrahydroquinolin-2-yl)cycloheptan-1-ol
CID 65042027
1-(2,3-dihydro-1H-indol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
CID 82855393
3-(2,3-dihydro-1H-indol-2-yl)pyrrolidin-3-ol
CID 65042492
3-(2,3-dihydro-1H-indol-2-yl)thiolan-3-ol
CID 79949446
4-ethyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)cycloheptan-1-ol
CID 65086041
3-(2,3-dihydro-1H-indol-2-yl)-4,4-dimethylthian-3-ol
CID 79955993
2,3-dimethyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)cyclohexan-1-ol
CID 65041592
3-cyclopropyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)cyclohexan-1-ol
CID 65042244
2-(2,3-dihydro-1H-indol-2-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
CID 115401309

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-indol-2-yl)-1-methylazepan-4-ol?
The IUPAC name of 4-(2,3-dihydro-1H-indol-2-yl)-1-methylazepan-4-ol (CID 65075178) is 4-(2,3-dihydro-1H-indol-2-yl)-1-methylazepan-4-ol.
What is the SMILES notation for 4-(2,3-dihydro-1H-indol-2-yl)-1-methylazepan-4-ol?
The canonical SMILES for 4-(2,3-dihydro-1H-indol-2-yl)-1-methylazepan-4-ol is CN1CCCC(O)(C2Cc3ccccc3N2)CC1.
What is the InChIKey of 4-(2,3-dihydro-1H-indol-2-yl)-1-methylazepan-4-ol?
The InChIKey is DGOJDBJMTGQTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-17-9-4-7-15(18,8-10-17)14-11-12-5-2-3-6-13(12)16-14/h2-3,5-6,14,16,18H,4,7-11H2,1H3.
What are the key properties of 4-(2,3-dihydro-1H-indol-2-yl)-1-methylazepan-4-ol?
4-(2,3-dihydro-1H-indol-2-yl)-1-methylazepan-4-ol has a molecular weight of 246.35 g/mol, XLogP of 1.87, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-indol-2-yl)-1-methylazepan-4-ol is sourced from PubChem (CID 65075178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).