1-[2-(1-methylpiperidin-2-yl)ethyl]-2,3-dihydroindol-5-amine

C16H25N3 — CID 107912688

IUPAC1-[2-(1-methylpiperidin-2-yl)ethyl]-2,3-dihydroindol-5-amine
SMILESCN1CCCCC1CCN1CCc2cc(N)ccc21
InChIInChI=1S/C16H25N3/c1-18-9-3-2-4-15(18)8-11-19-10-7-13-12-14(17)5-6-16(13)19/h5-6,12,15H,2-4,7-11,17H2,1H3
InChIKeyYDQQVPBDHMYDBG-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.51
Rot. Bonds3

About 1-[2-(1-methylpiperidin-2-yl)ethyl]-2,3-dihydroindol-5-amine

1-[2-(1-methylpiperidin-2-yl)ethyl]-2,3-dihydroindol-5-amine (PubChem CID 107912688) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 1-[2-(1-methylpiperidin-2-yl)ethyl]-2,3-dihydroindol-5-amine.

Molecular Properties

Compound Name1-[2-(1-methylpiperidin-2-yl)ethyl]-2,3-dihydroindol-5-amine
PubChem CID107912688
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name1-[2-(1-methylpiperidin-2-yl)ethyl]-2,3-dihydroindol-5-amine
SMILESCN1CCCCC1CCN1CCc2cc(N)ccc21
InChIInChI=1S/C16H25N3/c1-18-9-3-2-4-15(18)8-11-19-10-7-13-12-14(17)5-6-16(13)19/h5-6,12,15H,2-4,7-11,17H2,1H3
InChIKeyYDQQVPBDHMYDBG-UHFFFAOYSA-N
XLogP2.51
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[2-(1-methylpiperidin-2-yl)ethyl]-3,4-dihydroisoquinolin-1-one
CID 107914190
(NZ)-N-[1-[2-(1-methylpiperidin-2-yl)ethyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine
CID 107912556
1-(3,3-dimethylbutyl)-3,4-dihydro-2H-quinolin-6-amine
CID 54957573
6-amino-4-[2-(1-methylpiperidin-2-yl)ethyl]-1,4-benzoxazin-3-one
CID 107912116
4-bromo-3-[2-(1-methylpiperidin-2-yl)ethoxy]aniline
CID 107911011
2-(6-amino-3,4-dihydro-2H-quinolin-1-yl)ethanethiol
CID 59090152
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(1-methylpiperidin-2-yl)methanamine
CID 62095490
N'-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]-2,3,4,5-tetrahydro-1-benzazepin-7-yl]thiophene-2-carboximidamide;dihydrochloride
CID 90665100
1-(2,2-difluoroethyl)-2,3-dihydroindol-5-amine
CID 60923081
3-bromo-4-[2-(1-methylpiperidin-2-yl)ethylsulfinyl]aniline
CID 107914518
2-[2-(1-methylpiperidin-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 114524044
1-methyl-2-[2-(5-methylpyrazol-1-yl)ethyl]piperidine
CID 107914184

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylpiperidin-2-yl)ethyl]-2,3-dihydroindol-5-amine?
The IUPAC name of 1-[2-(1-methylpiperidin-2-yl)ethyl]-2,3-dihydroindol-5-amine (CID 107912688) is 1-[2-(1-methylpiperidin-2-yl)ethyl]-2,3-dihydroindol-5-amine.
What is the SMILES notation for 1-[2-(1-methylpiperidin-2-yl)ethyl]-2,3-dihydroindol-5-amine?
The canonical SMILES for 1-[2-(1-methylpiperidin-2-yl)ethyl]-2,3-dihydroindol-5-amine is CN1CCCCC1CCN1CCc2cc(N)ccc21.
What is the InChIKey of 1-[2-(1-methylpiperidin-2-yl)ethyl]-2,3-dihydroindol-5-amine?
The InChIKey is YDQQVPBDHMYDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-18-9-3-2-4-15(18)8-11-19-10-7-13-12-14(17)5-6-16(13)19/h5-6,12,15H,2-4,7-11,17H2,1H3.
What are the key properties of 1-[2-(1-methylpiperidin-2-yl)ethyl]-2,3-dihydroindol-5-amine?
1-[2-(1-methylpiperidin-2-yl)ethyl]-2,3-dihydroindol-5-amine has a molecular weight of 259.40 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylpiperidin-2-yl)ethyl]-2,3-dihydroindol-5-amine is sourced from PubChem (CID 107912688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).