N-[1-(1-ethylpiperidin-4-yl)-3-methylindol-5-yl]hydroxylamine

C16H23N3O — CID 89110077

IUPACN-[1-(1-ethylpiperidin-4-yl)-3-methylindol-5-yl]hydroxylamine
SMILESCCN1CCC(n2cc(C)c3cc(NO)ccc32)CC1
InChIInChI=1S/C16H23N3O/c1-3-18-8-6-14(7-9-18)19-11-12(2)15-10-13(17-20)4-5-16(15)19/h4-5,10-11,14,17,20H,3,6-9H2,1-2H3
InChIKeyVLIQFYFAOQMBSO-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.41
Rot. Bonds3

About N-[1-(1-ethylpiperidin-4-yl)-3-methylindol-5-yl]hydroxylamine

N-[1-(1-ethylpiperidin-4-yl)-3-methylindol-5-yl]hydroxylamine (PubChem CID 89110077) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[1-(1-ethylpiperidin-4-yl)-3-methylindol-5-yl]hydroxylamine.

Molecular Properties

Compound NameN-[1-(1-ethylpiperidin-4-yl)-3-methylindol-5-yl]hydroxylamine
PubChem CID89110077
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[1-(1-ethylpiperidin-4-yl)-3-methylindol-5-yl]hydroxylamine
SMILESCCN1CCC(n2cc(C)c3cc(NO)ccc32)CC1
InChIInChI=1S/C16H23N3O/c1-3-18-8-6-14(7-9-18)19-11-12(2)15-10-13(17-20)4-5-16(15)19/h4-5,10-11,14,17,20H,3,6-9H2,1-2H3
InChIKeyVLIQFYFAOQMBSO-UHFFFAOYSA-N
XLogP3.41
TPSA40.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[1-(1-ethylpiperidin-4-yl)-3-methylindol-5-yl]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethylpiperidin-4-yl)-3-methylindol-5-yl]hydroxylamine?
The IUPAC name of N-[1-(1-ethylpiperidin-4-yl)-3-methylindol-5-yl]hydroxylamine (CID 89110077) is N-[1-(1-ethylpiperidin-4-yl)-3-methylindol-5-yl]hydroxylamine.
What is the SMILES notation for N-[1-(1-ethylpiperidin-4-yl)-3-methylindol-5-yl]hydroxylamine?
The canonical SMILES for N-[1-(1-ethylpiperidin-4-yl)-3-methylindol-5-yl]hydroxylamine is CCN1CCC(n2cc(C)c3cc(NO)ccc32)CC1.
What is the InChIKey of N-[1-(1-ethylpiperidin-4-yl)-3-methylindol-5-yl]hydroxylamine?
The InChIKey is VLIQFYFAOQMBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-18-8-6-14(7-9-18)19-11-12(2)15-10-13(17-20)4-5-16(15)19/h4-5,10-11,14,17,20H,3,6-9H2,1-2H3.
What are the key properties of N-[1-(1-ethylpiperidin-4-yl)-3-methylindol-5-yl]hydroxylamine?
N-[1-(1-ethylpiperidin-4-yl)-3-methylindol-5-yl]hydroxylamine has a molecular weight of 273.38 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethylpiperidin-4-yl)-3-methylindol-5-yl]hydroxylamine is sourced from PubChem (CID 89110077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).