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

C15H20N2O — CID 115351908

IUPAC4-(1H-indol-4-yl)-1-methylazepan-4-ol
SMILESCN1CCCC(O)(c2cccc3[nH]ccc23)CC1
InChIInChI=1S/C15H20N2O/c1-17-10-3-7-15(18,8-11-17)13-4-2-5-14-12(13)6-9-16-14/h2,4-6,9,16,18H,3,7-8,10-11H2,1H3
InChIKeySXRGYARBEFCWSB-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.47
Rot. Bonds1

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

4-(1H-indol-4-yl)-1-methylazepan-4-ol (PubChem CID 115351908) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-(1H-indol-4-yl)-1-methylazepan-4-ol.

Molecular Properties

Compound Name4-(1H-indol-4-yl)-1-methylazepan-4-ol
PubChem CID115351908
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name4-(1H-indol-4-yl)-1-methylazepan-4-ol
SMILESCN1CCCC(O)(c2cccc3[nH]ccc23)CC1
InChIInChI=1S/C15H20N2O/c1-17-10-3-7-15(18,8-11-17)13-4-2-5-14-12(13)6-9-16-14/h2,4-6,9,16,18H,3,7-8,10-11H2,1H3
InChIKeySXRGYARBEFCWSB-UHFFFAOYSA-N
XLogP2.47
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1H-indol-4-yl)-1-methylpiperidin-3-ol
CID 12900687
4-(1H-indol-4-yl)-1-propylazepan-4-ol
CID 115351910
8-(1H-indol-4-yl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 115351923
1-(1H-indol-4-yl)-3-propan-2-ylcyclohexan-1-ol
CID 107449693
4-(4-methyl-1,4-diazepan-1-yl)-1H-indole
CID 102049749
2-ethyl-4-(1H-indol-4-yl)-2-methyloxan-4-ol
CID 115351890
4-(2-bromophenyl)-1-methylpiperidin-4-ol
CID 53417639
4-(1H-indol-4-yl)-1-azabicyclo[3.2.1]octan-4-ol
CID 105365814
4-(3-chloro-2-methylphenyl)-1-methylpiperidin-4-ol
CID 83824769
[1-(1H-indol-4-yl)cyclobutyl]methanamine
CID 82607708
4-(3-cyclopropyloxyphenyl)-1-methylazepan-4-ol
CID 114520909
1-(1H-indol-4-yl)-2,4,4-trimethylcyclopentan-1-ol
CID 106663926

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-4-yl)-1-methylazepan-4-ol?
The IUPAC name of 4-(1H-indol-4-yl)-1-methylazepan-4-ol (CID 115351908) is 4-(1H-indol-4-yl)-1-methylazepan-4-ol.
What is the SMILES notation for 4-(1H-indol-4-yl)-1-methylazepan-4-ol?
The canonical SMILES for 4-(1H-indol-4-yl)-1-methylazepan-4-ol is CN1CCCC(O)(c2cccc3[nH]ccc23)CC1.
What is the InChIKey of 4-(1H-indol-4-yl)-1-methylazepan-4-ol?
The InChIKey is SXRGYARBEFCWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-17-10-3-7-15(18,8-11-17)13-4-2-5-14-12(13)6-9-16-14/h2,4-6,9,16,18H,3,7-8,10-11H2,1H3.
What are the key properties of 4-(1H-indol-4-yl)-1-methylazepan-4-ol?
4-(1H-indol-4-yl)-1-methylazepan-4-ol has a molecular weight of 244.34 g/mol, XLogP of 2.47, 1 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-methylazepan-4-ol is sourced from PubChem (CID 115351908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).