1-[2-(5-methoxy-1H-indol-3-yl)ethyl]piperidine-3,5-diamine

C16H24N4O — CID 102230597

IUPAC1-[2-(5-methoxy-1H-indol-3-yl)ethyl]piperidine-3,5-diamine
SMILESCOc1ccc2[nH]cc(CCN3CC(N)CC(N)C3)c2c1
InChIInChI=1S/C16H24N4O/c1-21-14-2-3-16-15(7-14)11(8-19-16)4-5-20-9-12(17)6-13(18)10-20/h2-3,7-8,12-13,19H,4-6,9-10,17-18H2,1H3
InChIKeyRDIHQQNVHIKWML-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.08
Rot. Bonds4

About 1-[2-(5-methoxy-1H-indol-3-yl)ethyl]piperidine-3,5-diamine

1-[2-(5-methoxy-1H-indol-3-yl)ethyl]piperidine-3,5-diamine (PubChem CID 102230597) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-[2-(5-methoxy-1H-indol-3-yl)ethyl]piperidine-3,5-diamine.

Molecular Properties

Compound Name1-[2-(5-methoxy-1H-indol-3-yl)ethyl]piperidine-3,5-diamine
PubChem CID102230597
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name1-[2-(5-methoxy-1H-indol-3-yl)ethyl]piperidine-3,5-diamine
SMILESCOc1ccc2[nH]cc(CCN3CC(N)CC(N)C3)c2c1
InChIInChI=1S/C16H24N4O/c1-21-14-2-3-16-15(7-14)11(8-19-16)4-5-20-9-12(17)6-13(18)10-20/h2-3,7-8,12-13,19H,4-6,9-10,17-18H2,1H3
InChIKeyRDIHQQNVHIKWML-UHFFFAOYSA-N
XLogP1.08
TPSA80.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(2,4-dimethylazetidin-1-yl)ethyl]-5-methoxy-1H-indole
CID 170277434
1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrrole-2,5-diol
CID 123758816
4-(chloromethyl)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrrolidin-2-one
CID 168507488
3-(2-cyclohexylethyl)-5-methoxy-1H-indole
CID 106985417
1-[2-(5-methoxy-1H-indol-3-yl)ethyl]piperidine-2,6-dione
CID 23283702
3-[2-[4-(difluoromethoxymethyl)azepan-1-yl]ethyl]-5-methoxy-1H-indole
CID 176862217
3-[3-[4-[3-(5-bromo-1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-5-methoxy-1H-indole
CID 72735021
3-[4-(3,6-dihydro-2H-pyridin-1-yl)butyl]-5-methoxy-1H-indole
CID 22364696
3-[3-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-5-methoxy-1H-indole
CID 72734844
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-methylcyclopropanamine
CID 67231451
3-[2-[(2S)-2-(difluoromethoxy)azetidin-1-yl]ethyl]-5-methoxy-1H-indole
CID 176862202
3-[2-[(2R)-2-(difluoromethoxy)azetidin-1-yl]ethyl]-5-methoxy-1H-indole
CID 176862274

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methoxy-1H-indol-3-yl)ethyl]piperidine-3,5-diamine?
The IUPAC name of 1-[2-(5-methoxy-1H-indol-3-yl)ethyl]piperidine-3,5-diamine (CID 102230597) is 1-[2-(5-methoxy-1H-indol-3-yl)ethyl]piperidine-3,5-diamine.
What is the SMILES notation for 1-[2-(5-methoxy-1H-indol-3-yl)ethyl]piperidine-3,5-diamine?
The canonical SMILES for 1-[2-(5-methoxy-1H-indol-3-yl)ethyl]piperidine-3,5-diamine is COc1ccc2[nH]cc(CCN3CC(N)CC(N)C3)c2c1.
What is the InChIKey of 1-[2-(5-methoxy-1H-indol-3-yl)ethyl]piperidine-3,5-diamine?
The InChIKey is RDIHQQNVHIKWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-21-14-2-3-16-15(7-14)11(8-19-16)4-5-20-9-12(17)6-13(18)10-20/h2-3,7-8,12-13,19H,4-6,9-10,17-18H2,1H3.
What are the key properties of 1-[2-(5-methoxy-1H-indol-3-yl)ethyl]piperidine-3,5-diamine?
1-[2-(5-methoxy-1H-indol-3-yl)ethyl]piperidine-3,5-diamine has a molecular weight of 288.39 g/mol, XLogP of 1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methoxy-1H-indol-3-yl)ethyl]piperidine-3,5-diamine is sourced from PubChem (CID 102230597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).