1-(2-piperidin-3-ylethyl)-2,3-dihydroindole;dihydrochloride

C15H24Cl2N2 — CID 53408240

IUPAC1-(2-piperidin-3-ylethyl)-2,3-dihydroindole;dihydrochloride
SMILESCl.Cl.c1ccc2c(c1)CCN2CCC1CCCNC1
InChIInChI=1S/C15H22N2.2ClH/c1-2-6-15-14(5-1)8-11-17(15)10-7-13-4-3-9-16-12-13;;/h1-2,5-6,13,16H,3-4,7-12H2;2*1H
InChIKeyKKWCPTNCOMCADV-UHFFFAOYSA-N
MW303.28 g/mol
LogP3.28
Rot. Bonds3

About 1-(2-piperidin-3-ylethyl)-2,3-dihydroindole;dihydrochloride

1-(2-piperidin-3-ylethyl)-2,3-dihydroindole;dihydrochloride (PubChem CID 53408240) has the molecular formula C15H24Cl2N2 and a molecular weight of 303.28 g/mol. Its IUPAC name is 1-(2-piperidin-3-ylethyl)-2,3-dihydroindole;dihydrochloride.

Molecular Properties

Compound Name1-(2-piperidin-3-ylethyl)-2,3-dihydroindole;dihydrochloride
PubChem CID53408240
Molecular FormulaC15H24Cl2N2
Molecular Weight303.28 g/mol
Exact Mass302.13
IUPAC Name1-(2-piperidin-3-ylethyl)-2,3-dihydroindole;dihydrochloride
SMILESCl.Cl.c1ccc2c(c1)CCN2CCC1CCCNC1
InChIInChI=1S/C15H22N2.2ClH/c1-2-6-15-14(5-1)8-11-17(15)10-7-13-4-3-9-16-12-13;;/h1-2,5-6,13,16H,3-4,7-12H2;2*1H
InChIKeyKKWCPTNCOMCADV-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(3S)-piperidin-3-yl]ethyl]-3,4-dihydro-2H-quinoline
CID 86323488
2-[2-[(3R)-piperidin-3-yl]ethyl]-3,4-dihydro-1H-isoquinoline
CID 86323482
1-(2-cyclohexylethyl)-3,4-dihydro-2H-quinoline
CID 154337689
1-(3,4-dihydro-2H-quinolin-1-yl)-2-piperidin-3-ylethanone
CID 62690706
2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline;dihydrochloride
CID 53408753
2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline
CID 24703662
2-[2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]morpholine
CID 66426870
1-(2-piperazin-1-ylethyl)-2,3-dihydroindole
CID 28704454
N-[3-(2,3-dihydroindol-1-yl)propyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119851194
3-methyl-1-(piperidin-3-ylmethyl)-3,4-dihydro-2H-quinoline
CID 63524793
N-[3-(2,3-dihydroindol-1-yl)propyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126454273
2-(2,3-dihydroindol-1-yl)ethanol;hydrochloride
CID 169005265

Frequently Asked Questions

What is the IUPAC name of 1-(2-piperidin-3-ylethyl)-2,3-dihydroindole;dihydrochloride?
The IUPAC name of 1-(2-piperidin-3-ylethyl)-2,3-dihydroindole;dihydrochloride (CID 53408240) is 1-(2-piperidin-3-ylethyl)-2,3-dihydroindole;dihydrochloride.
What is the SMILES notation for 1-(2-piperidin-3-ylethyl)-2,3-dihydroindole;dihydrochloride?
The canonical SMILES for 1-(2-piperidin-3-ylethyl)-2,3-dihydroindole;dihydrochloride is Cl.Cl.c1ccc2c(c1)CCN2CCC1CCCNC1.
What is the InChIKey of 1-(2-piperidin-3-ylethyl)-2,3-dihydroindole;dihydrochloride?
The InChIKey is KKWCPTNCOMCADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2.2ClH/c1-2-6-15-14(5-1)8-11-17(15)10-7-13-4-3-9-16-12-13;;/h1-2,5-6,13,16H,3-4,7-12H2;2*1H.
What are the key properties of 1-(2-piperidin-3-ylethyl)-2,3-dihydroindole;dihydrochloride?
1-(2-piperidin-3-ylethyl)-2,3-dihydroindole;dihydrochloride has a molecular weight of 303.28 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperidin-3-ylethyl)-2,3-dihydroindole;dihydrochloride is sourced from PubChem (CID 53408240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).