3-(1-methylpiperidin-4-yl)-1H-indole;dihydrochloride

C14H20Cl2N2 — CID 174560357

IUPAC3-(1-methylpiperidin-4-yl)-1H-indole;dihydrochloride
SMILESCN1CCC(c2c[nH]c3ccccc23)CC1.Cl.Cl
InChIInChI=1S/C14H18N2.2ClH/c1-16-8-6-11(7-9-16)13-10-15-14-5-3-2-4-12(13)14;;/h2-5,10-11,15H,6-9H2,1H3;2*1H
InChIKeyHZIXLPVPGXWABS-UHFFFAOYSA-N
MW287.23 g/mol
LogP3.82
Rot. Bonds1

About 3-(1-methylpiperidin-4-yl)-1H-indole;dihydrochloride

3-(1-methylpiperidin-4-yl)-1H-indole;dihydrochloride (PubChem CID 174560357) has the molecular formula C14H20Cl2N2 and a molecular weight of 287.23 g/mol. Its IUPAC name is 3-(1-methylpiperidin-4-yl)-1H-indole;dihydrochloride.

Molecular Properties

Compound Name3-(1-methylpiperidin-4-yl)-1H-indole;dihydrochloride
PubChem CID174560357
Molecular FormulaC14H20Cl2N2
Molecular Weight287.23 g/mol
Exact Mass286.10
IUPAC Name3-(1-methylpiperidin-4-yl)-1H-indole;dihydrochloride
SMILESCN1CCC(c2c[nH]c3ccccc23)CC1.Cl.Cl
InChIInChI=1S/C14H18N2.2ClH/c1-16-8-6-11(7-9-16)13-10-15-14-5-3-2-4-12(13)14;;/h2-5,10-11,15H,6-9H2,1H3;2*1H
InChIKeyHZIXLPVPGXWABS-UHFFFAOYSA-N
XLogP3.82
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(1-methylpyrrolidin-3-yl)-1H-indole
CID 19337
N-ethyl-4-(1H-indol-3-yl)-N-(1-methylpiperidin-4-yl)piperidin-1-amine
CID 143927617
3-(1-butylpiperidin-4-yl)-1H-indole
CID 21135948
3-(1-methylpiperidin-4-yl)-1H-indol-5-amine;dihydrochloride
CID 22611495
2-[4-(1H-indol-3-yl)piperidin-1-yl]ethanethiol
CID 116997210
3-[1-(3-piperidin-1-ylpropyl)piperidin-4-yl]-1H-indole;hydrochloride
CID 18001248
3-[1-(2-methylphenyl)piperidin-4-yl]-1H-indole
CID 91802123
3-(1-propan-2-ylsulfanylpiperidin-4-yl)-1H-indole
CID 144855106
5-bromo-3-(1-methylpiperidin-4-yl)-1H-indole
CID 15745344
ethane;3-piperidin-4-yl-1H-indole
CID 91036207
3-[1-(1,3-dihydroisoindol-2-ylmethyl)piperidin-4-yl]-1H-indole;methane
CID 158590362
3-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-indole
CID 10037310

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperidin-4-yl)-1H-indole;dihydrochloride?
The IUPAC name of 3-(1-methylpiperidin-4-yl)-1H-indole;dihydrochloride (CID 174560357) is 3-(1-methylpiperidin-4-yl)-1H-indole;dihydrochloride.
What is the SMILES notation for 3-(1-methylpiperidin-4-yl)-1H-indole;dihydrochloride?
The canonical SMILES for 3-(1-methylpiperidin-4-yl)-1H-indole;dihydrochloride is CN1CCC(c2c[nH]c3ccccc23)CC1.Cl.Cl.
What is the InChIKey of 3-(1-methylpiperidin-4-yl)-1H-indole;dihydrochloride?
The InChIKey is HZIXLPVPGXWABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2.2ClH/c1-16-8-6-11(7-9-16)13-10-15-14-5-3-2-4-12(13)14;;/h2-5,10-11,15H,6-9H2,1H3;2*1H.
What are the key properties of 3-(1-methylpiperidin-4-yl)-1H-indole;dihydrochloride?
3-(1-methylpiperidin-4-yl)-1H-indole;dihydrochloride has a molecular weight of 287.23 g/mol, XLogP of 3.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperidin-4-yl)-1H-indole;dihydrochloride is sourced from PubChem (CID 174560357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).