5-(4-methylpiperidin-1-yl)-2,3-dihydroindol-1-amine

C14H21N3 — CID 150846033

IUPAC5-(4-methylpiperidin-1-yl)-2,3-dihydroindol-1-amine
SMILESCC1CCN(c2ccc3c(c2)CCN3N)CC1
InChIInChI=1S/C14H21N3/c1-11-4-7-16(8-5-11)13-2-3-14-12(10-13)6-9-17(14)15/h2-3,10-11H,4-9,15H2,1H3
InChIKeyKPABSCXWPAXTFG-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.16
Rot. Bonds1

About 5-(4-methylpiperidin-1-yl)-2,3-dihydroindol-1-amine

5-(4-methylpiperidin-1-yl)-2,3-dihydroindol-1-amine (PubChem CID 150846033) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 5-(4-methylpiperidin-1-yl)-2,3-dihydroindol-1-amine.

Molecular Properties

Compound Name5-(4-methylpiperidin-1-yl)-2,3-dihydroindol-1-amine
PubChem CID150846033
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name5-(4-methylpiperidin-1-yl)-2,3-dihydroindol-1-amine
SMILESCC1CCN(c2ccc3c(c2)CCN3N)CC1
InChIInChI=1S/C14H21N3/c1-11-4-7-16(8-5-11)13-2-3-14-12(10-13)6-9-17(14)15/h2-3,10-11H,4-9,15H2,1H3
InChIKeyKPABSCXWPAXTFG-UHFFFAOYSA-N
XLogP2.16
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.16
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': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

[4-(4-methylpiperidin-1-yl)phenyl]methylidenehydrazine
CID 168530817
2-fluoro-5-(4-methylpiperidin-1-yl)aniline
CID 79678383
4-(4-methylpiperidin-1-yl)benzonitrile
CID 3152080
1-[2-amino-4-(4-methylazepan-1-yl)phenyl]ethanone
CID 104528853
ethane;4-methyl-1-phenylpiperidine
CID 143180672
4-methyl-1-(4-pyrrol-1-ylphenyl)piperidine
CID 91674771
6-(4-methylpiperidin-1-yl)naphthalene-2-carbaldehyde
CID 151129511
1-[4-(1-acetyl-2,3-dihydroindol-5-yl)piperazin-1-yl]ethanone
CID 82537881
2-(1-hydroxyethyl)-5-(4-methylpiperidin-1-yl)phenol
CID 79603318
1-(3,5-dichlorophenyl)-4-methylpiperidine
CID 157277314
1-methyl-6-piperidin-1-yl-3,4-dihydro-2H-quinoline
CID 82538182
N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide
CID 100758927

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperidin-1-yl)-2,3-dihydroindol-1-amine?
The IUPAC name of 5-(4-methylpiperidin-1-yl)-2,3-dihydroindol-1-amine (CID 150846033) is 5-(4-methylpiperidin-1-yl)-2,3-dihydroindol-1-amine.
What is the SMILES notation for 5-(4-methylpiperidin-1-yl)-2,3-dihydroindol-1-amine?
The canonical SMILES for 5-(4-methylpiperidin-1-yl)-2,3-dihydroindol-1-amine is CC1CCN(c2ccc3c(c2)CCN3N)CC1.
What is the InChIKey of 5-(4-methylpiperidin-1-yl)-2,3-dihydroindol-1-amine?
The InChIKey is KPABSCXWPAXTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-11-4-7-16(8-5-11)13-2-3-14-12(10-13)6-9-17(14)15/h2-3,10-11H,4-9,15H2,1H3.
What are the key properties of 5-(4-methylpiperidin-1-yl)-2,3-dihydroindol-1-amine?
5-(4-methylpiperidin-1-yl)-2,3-dihydroindol-1-amine has a molecular weight of 231.34 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperidin-1-yl)-2,3-dihydroindol-1-amine is sourced from PubChem (CID 150846033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).