4-(1H-indol-4-yl)-1-propylazepan-4-ol

C17H24N2O — CID 115351910

IUPAC4-(1H-indol-4-yl)-1-propylazepan-4-ol
SMILESCCCN1CCCC(O)(c2cccc3[nH]ccc23)CC1
InChIInChI=1S/C17H24N2O/c1-2-11-19-12-4-8-17(20,9-13-19)15-5-3-6-16-14(15)7-10-18-16/h3,5-7,10,18,20H,2,4,8-9,11-13H2,1H3
InChIKeyQJGOBWYSMCXOPD-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.25
Rot. Bonds3

About 4-(1H-indol-4-yl)-1-propylazepan-4-ol

4-(1H-indol-4-yl)-1-propylazepan-4-ol (PubChem CID 115351910) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 4-(1H-indol-4-yl)-1-propylazepan-4-ol.

Molecular Properties

Compound Name4-(1H-indol-4-yl)-1-propylazepan-4-ol
PubChem CID115351910
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name4-(1H-indol-4-yl)-1-propylazepan-4-ol
SMILESCCCN1CCCC(O)(c2cccc3[nH]ccc23)CC1
InChIInChI=1S/C17H24N2O/c1-2-11-19-12-4-8-17(20,9-13-19)15-5-3-6-16-14(15)7-10-18-16/h3,5-7,10,18,20H,2,4,8-9,11-13H2,1H3
InChIKeyQJGOBWYSMCXOPD-UHFFFAOYSA-N
XLogP3.25
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1H-indol-4-yl)-1-methylazepan-4-ol
CID 115351908
3-(1H-indol-4-yl)-1-methylpiperidin-3-ol
CID 12900687
4-(2-ethoxyphenyl)-1-propylazepan-4-ol
CID 65077808
8-(1H-indol-4-yl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 115351923
4-(2,3-difluorophenyl)-1-ethylpiperidin-4-ol;4-(2,3-difluorophenyl)-1-propylpiperidin-4-ol
CID 158903021
4-(2-cyclobutylphenyl)-1-propylpiperidin-4-ol
CID 114601118
1-(1H-indol-4-yl)-3-propan-2-ylcyclohexan-1-ol
CID 107449693
4-(5-bromo-2-fluorophenyl)-1-propylazepan-4-ol
CID 79742449
4-(cycloocten-1-yl)-1-propylazepan-4-ol
CID 106651193
2-ethyl-4-(1H-indol-4-yl)-2-methyloxan-4-ol
CID 115351890
4-(3,4-difluorophenyl)-1-propylazepan-4-ol
CID 65077615
4-(1-benzofuran-2-yl)-1-propylazepan-4-ol
CID 114723963

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-4-yl)-1-propylazepan-4-ol?
The IUPAC name of 4-(1H-indol-4-yl)-1-propylazepan-4-ol (CID 115351910) is 4-(1H-indol-4-yl)-1-propylazepan-4-ol.
What is the SMILES notation for 4-(1H-indol-4-yl)-1-propylazepan-4-ol?
The canonical SMILES for 4-(1H-indol-4-yl)-1-propylazepan-4-ol is CCCN1CCCC(O)(c2cccc3[nH]ccc23)CC1.
What is the InChIKey of 4-(1H-indol-4-yl)-1-propylazepan-4-ol?
The InChIKey is QJGOBWYSMCXOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-2-11-19-12-4-8-17(20,9-13-19)15-5-3-6-16-14(15)7-10-18-16/h3,5-7,10,18,20H,2,4,8-9,11-13H2,1H3.
What are the key properties of 4-(1H-indol-4-yl)-1-propylazepan-4-ol?
4-(1H-indol-4-yl)-1-propylazepan-4-ol has a molecular weight of 272.39 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-4-yl)-1-propylazepan-4-ol is sourced from PubChem (CID 115351910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).