3-[1-(2-pyrrolidin-2-ylethyl)piperidin-4-yl]-1H-indole

C19H27N3 — CID 67426458

IUPAC3-[1-(2-pyrrolidin-2-ylethyl)piperidin-4-yl]-1H-indole
SMILESc1ccc2c(C3CCN(CCC4CCCN4)CC3)c[nH]c2c1
InChIInChI=1S/C19H27N3/c1-2-6-19-17(5-1)18(14-21-19)15-7-11-22(12-8-15)13-9-16-4-3-10-20-16/h1-2,5-6,14-16,20-21H,3-4,7-13H2
InChIKeyHJNTWRBRIHMCRG-UHFFFAOYSA-N
MW297.45 g/mol
LogP3.49
Rot. Bonds4

About 3-[1-(2-pyrrolidin-2-ylethyl)piperidin-4-yl]-1H-indole

3-[1-(2-pyrrolidin-2-ylethyl)piperidin-4-yl]-1H-indole (PubChem CID 67426458) has the molecular formula C19H27N3 and a molecular weight of 297.45 g/mol. Its IUPAC name is 3-[1-(2-pyrrolidin-2-ylethyl)piperidin-4-yl]-1H-indole.

Molecular Properties

Compound Name3-[1-(2-pyrrolidin-2-ylethyl)piperidin-4-yl]-1H-indole
PubChem CID67426458
Molecular FormulaC19H27N3
Molecular Weight297.45 g/mol
Exact Mass297.22
IUPAC Name3-[1-(2-pyrrolidin-2-ylethyl)piperidin-4-yl]-1H-indole
SMILESc1ccc2c(C3CCN(CCC4CCCN4)CC3)c[nH]c2c1
InChIInChI=1S/C19H27N3/c1-2-6-19-17(5-1)18(14-21-19)15-7-11-22(12-8-15)13-9-16-4-3-10-20-16/h1-2,5-6,14-16,20-21H,3-4,7-13H2
InChIKeyHJNTWRBRIHMCRG-UHFFFAOYSA-N
XLogP3.49
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.45
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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-(3-piperidin-3-ylpropyl)piperidin-4-yl]-1H-indole
CID 70036582
3-(1-butylpiperidin-4-yl)-1H-indole
CID 21135948
3-[1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-1H-indole
CID 67753677
3-(1-methylpiperidin-4-yl)-1H-indole;dihydrochloride
CID 174560357
3-[1-(1,3-dihydroisoindol-2-ylmethyl)piperidin-4-yl]-1H-indole;methane
CID 158590362
methane;3-[1-[(4-phenylpiperidin-1-yl)methyl]piperidin-4-yl]-1H-indole
CID 160789149
3-[4-(2-pyrrolidin-2-ylethyl)piperazin-1-yl]-1H-indazole
CID 77421538
3-[4-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexyl]-1H-indole
CID 10667957
buta-1,3-diene;ethane;3-[4-(1H-indol-3-yl)piperidin-1-yl]propan-1-amine
CID 143060234
N-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]benzamide
CID 54526531

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-pyrrolidin-2-ylethyl)piperidin-4-yl]-1H-indole?
The IUPAC name of 3-[1-(2-pyrrolidin-2-ylethyl)piperidin-4-yl]-1H-indole (CID 67426458) is 3-[1-(2-pyrrolidin-2-ylethyl)piperidin-4-yl]-1H-indole.
What is the SMILES notation for 3-[1-(2-pyrrolidin-2-ylethyl)piperidin-4-yl]-1H-indole?
The canonical SMILES for 3-[1-(2-pyrrolidin-2-ylethyl)piperidin-4-yl]-1H-indole is c1ccc2c(C3CCN(CCC4CCCN4)CC3)c[nH]c2c1.
What is the InChIKey of 3-[1-(2-pyrrolidin-2-ylethyl)piperidin-4-yl]-1H-indole?
The InChIKey is HJNTWRBRIHMCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3/c1-2-6-19-17(5-1)18(14-21-19)15-7-11-22(12-8-15)13-9-16-4-3-10-20-16/h1-2,5-6,14-16,20-21H,3-4,7-13H2.
What are the key properties of 3-[1-(2-pyrrolidin-2-ylethyl)piperidin-4-yl]-1H-indole?
3-[1-(2-pyrrolidin-2-ylethyl)piperidin-4-yl]-1H-indole has a molecular weight of 297.45 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-pyrrolidin-2-ylethyl)piperidin-4-yl]-1H-indole is sourced from PubChem (CID 67426458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).