N-[1-(1-methylpiperidin-4-yl)-2,3-dihydroindol-5-yl]hydroxylamine

C14H21N3O — CID 89110073

IUPACN-[1-(1-methylpiperidin-4-yl)-2,3-dihydroindol-5-yl]hydroxylamine
SMILESCN1CCC(N2CCc3cc(NO)ccc32)CC1
InChIInChI=1S/C14H21N3O/c1-16-7-5-13(6-8-16)17-9-4-11-10-12(15-18)2-3-14(11)17/h2-3,10,13,15,18H,4-9H2,1H3
InChIKeyDRJIWRWQDXHQKR-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.94
Rot. Bonds2

About N-[1-(1-methylpiperidin-4-yl)-2,3-dihydroindol-5-yl]hydroxylamine

N-[1-(1-methylpiperidin-4-yl)-2,3-dihydroindol-5-yl]hydroxylamine (PubChem CID 89110073) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[1-(1-methylpiperidin-4-yl)-2,3-dihydroindol-5-yl]hydroxylamine.

Molecular Properties

Compound NameN-[1-(1-methylpiperidin-4-yl)-2,3-dihydroindol-5-yl]hydroxylamine
PubChem CID89110073
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-[1-(1-methylpiperidin-4-yl)-2,3-dihydroindol-5-yl]hydroxylamine
SMILESCN1CCC(N2CCc3cc(NO)ccc32)CC1
InChIInChI=1S/C14H21N3O/c1-16-7-5-13(6-8-16)17-9-4-11-10-12(15-18)2-3-14(11)17/h2-3,10,13,15,18H,4-9H2,1H3
InChIKeyDRJIWRWQDXHQKR-UHFFFAOYSA-N
XLogP1.94
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1-cyclopentyl-2,3-dihydroindol-5-yl)propan-2-ol
CID 115115348
1-(1-cyclohexyl-2,3-dihydroindol-5-yl)ethanol
CID 117118466
2-fluoro-N-[1-(1-methylpiperidin-4-yl)-2,3-dihydroindol-6-yl]benzenesulfonamide
CID 174391222
(3R)-N-methyl-3-(5-methyl-2,3-dihydroindol-1-yl)pyrrolidine-1-carboxamide
CID 95051289
(3S)-N-methyl-3-(5-methyl-2,3-dihydroindol-1-yl)pyrrolidine-1-carboxamide
CID 95051290
N-(1-cyclohexyl-2,3-dihydroindol-6-yl)acetamide
CID 142743455
2-(1-cyclohexyl-2,3-dihydroindol-5-yl)propan-1-ol
CID 117118471
(1-methyl-2,3-dihydroindol-5-yl)hydrazine
CID 116997170
(1-piperidin-4-yl-2,3-dihydroindol-5-yl)methanol
CID 121204209
(1-cyclopentyl-2,3-dihydroindol-5-yl)methanamine
CID 115115353
ethane;1-(1-ethylpiperidin-4-yl)-2,3-dihydroindole;vanadium
CID 161158486
5-fluoro-1-piperidin-4-yl-2,3-dihydroindole
CID 67417842

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylpiperidin-4-yl)-2,3-dihydroindol-5-yl]hydroxylamine?
The IUPAC name of N-[1-(1-methylpiperidin-4-yl)-2,3-dihydroindol-5-yl]hydroxylamine (CID 89110073) is N-[1-(1-methylpiperidin-4-yl)-2,3-dihydroindol-5-yl]hydroxylamine.
What is the SMILES notation for N-[1-(1-methylpiperidin-4-yl)-2,3-dihydroindol-5-yl]hydroxylamine?
The canonical SMILES for N-[1-(1-methylpiperidin-4-yl)-2,3-dihydroindol-5-yl]hydroxylamine is CN1CCC(N2CCc3cc(NO)ccc32)CC1.
What is the InChIKey of N-[1-(1-methylpiperidin-4-yl)-2,3-dihydroindol-5-yl]hydroxylamine?
The InChIKey is DRJIWRWQDXHQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-16-7-5-13(6-8-16)17-9-4-11-10-12(15-18)2-3-14(11)17/h2-3,10,13,15,18H,4-9H2,1H3.
What are the key properties of N-[1-(1-methylpiperidin-4-yl)-2,3-dihydroindol-5-yl]hydroxylamine?
N-[1-(1-methylpiperidin-4-yl)-2,3-dihydroindol-5-yl]hydroxylamine has a molecular weight of 247.34 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylpiperidin-4-yl)-2,3-dihydroindol-5-yl]hydroxylamine is sourced from PubChem (CID 89110073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).