3-(1-methylpiperidin-4-yl)-1H-indol-5-amine;dihydrochloride

C14H21Cl2N3 — CID 22611495

IUPAC3-(1-methylpiperidin-4-yl)-1H-indol-5-amine;dihydrochloride
SMILESCN1CCC(c2c[nH]c3ccc(N)cc23)CC1.Cl.Cl
InChIInChI=1S/C14H19N3.2ClH/c1-17-6-4-10(5-7-17)13-9-16-14-3-2-11(15)8-12(13)14;;/h2-3,8-10,16H,4-7,15H2,1H3;2*1H
InChIKeyNVPQXCCIINIGOU-UHFFFAOYSA-N
MW302.25 g/mol
LogP3.40
Rot. Bonds1

About 3-(1-methylpiperidin-4-yl)-1H-indol-5-amine;dihydrochloride

3-(1-methylpiperidin-4-yl)-1H-indol-5-amine;dihydrochloride (PubChem CID 22611495) has the molecular formula C14H21Cl2N3 and a molecular weight of 302.25 g/mol. Its IUPAC name is 3-(1-methylpiperidin-4-yl)-1H-indol-5-amine;dihydrochloride.

Molecular Properties

Compound Name3-(1-methylpiperidin-4-yl)-1H-indol-5-amine;dihydrochloride
PubChem CID22611495
Molecular FormulaC14H21Cl2N3
Molecular Weight302.25 g/mol
Exact Mass301.11
IUPAC Name3-(1-methylpiperidin-4-yl)-1H-indol-5-amine;dihydrochloride
SMILESCN1CCC(c2c[nH]c3ccc(N)cc23)CC1.Cl.Cl
InChIInChI=1S/C14H19N3.2ClH/c1-17-6-4-10(5-7-17)13-9-16-14-3-2-11(15)8-12(13)14;;/h2-3,8-10,16H,4-7,15H2,1H3;2*1H
InChIKeyNVPQXCCIINIGOU-UHFFFAOYSA-N
XLogP3.40
TPSA45.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperidin-4-yl)-1H-indol-5-amine;dihydrochloride?
The IUPAC name of 3-(1-methylpiperidin-4-yl)-1H-indol-5-amine;dihydrochloride (CID 22611495) is 3-(1-methylpiperidin-4-yl)-1H-indol-5-amine;dihydrochloride.
What is the SMILES notation for 3-(1-methylpiperidin-4-yl)-1H-indol-5-amine;dihydrochloride?
The canonical SMILES for 3-(1-methylpiperidin-4-yl)-1H-indol-5-amine;dihydrochloride is CN1CCC(c2c[nH]c3ccc(N)cc23)CC1.Cl.Cl.
What is the InChIKey of 3-(1-methylpiperidin-4-yl)-1H-indol-5-amine;dihydrochloride?
The InChIKey is NVPQXCCIINIGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3.2ClH/c1-17-6-4-10(5-7-17)13-9-16-14-3-2-11(15)8-12(13)14;;/h2-3,8-10,16H,4-7,15H2,1H3;2*1H.
What are the key properties of 3-(1-methylpiperidin-4-yl)-1H-indol-5-amine;dihydrochloride?
3-(1-methylpiperidin-4-yl)-1H-indol-5-amine;dihydrochloride has a molecular weight of 302.25 g/mol, XLogP of 3.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperidin-4-yl)-1H-indol-5-amine;dihydrochloride is sourced from PubChem (CID 22611495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).