1-(2,3-dihydro-1H-inden-2-yl)-4-[(1-ethylpyrrolidin-2-yl)methyl]piperazine

C20H31N3 — CID 91829884

IUPAC1-(2,3-dihydro-1H-inden-2-yl)-4-[(1-ethylpyrrolidin-2-yl)methyl]piperazine
SMILESCCN1CCCC1CN1CCN(C2Cc3ccccc3C2)CC1
InChIInChI=1S/C20H31N3/c1-2-22-9-5-8-19(22)16-21-10-12-23(13-11-21)20-14-17-6-3-4-7-18(17)15-20/h3-4,6-7,19-20H,2,5,8-16H2,1H3
InChIKeyVLCIFIGXQHIRKG-UHFFFAOYSA-N
MW313.49 g/mol
LogP2.26
Rot. Bonds4

About 1-(2,3-dihydro-1H-inden-2-yl)-4-[(1-ethylpyrrolidin-2-yl)methyl]piperazine

1-(2,3-dihydro-1H-inden-2-yl)-4-[(1-ethylpyrrolidin-2-yl)methyl]piperazine (PubChem CID 91829884) has the molecular formula C20H31N3 and a molecular weight of 313.49 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-2-yl)-4-[(1-ethylpyrrolidin-2-yl)methyl]piperazine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-2-yl)-4-[(1-ethylpyrrolidin-2-yl)methyl]piperazine
PubChem CID91829884
Molecular FormulaC20H31N3
Molecular Weight313.49 g/mol
Exact Mass313.25
IUPAC Name1-(2,3-dihydro-1H-inden-2-yl)-4-[(1-ethylpyrrolidin-2-yl)methyl]piperazine
SMILESCCN1CCCC1CN1CCN(C2Cc3ccccc3C2)CC1
InChIInChI=1S/C20H31N3/c1-2-22-9-5-8-19(22)16-21-10-12-23(13-11-21)20-14-17-6-3-4-7-18(17)15-20/h3-4,6-7,19-20H,2,5,8-16H2,1H3
InChIKeyVLCIFIGXQHIRKG-UHFFFAOYSA-N
XLogP2.26
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-4-[(1-ethylpyrrolidin-2-yl)methyl]piperazine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-4-[(1-ethylpyrrolidin-2-yl)methyl]piperazine (CID 91829884) is 1-(2,3-dihydro-1H-inden-2-yl)-4-[(1-ethylpyrrolidin-2-yl)methyl]piperazine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-2-yl)-4-[(1-ethylpyrrolidin-2-yl)methyl]piperazine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-2-yl)-4-[(1-ethylpyrrolidin-2-yl)methyl]piperazine is CCN1CCCC1CN1CCN(C2Cc3ccccc3C2)CC1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-2-yl)-4-[(1-ethylpyrrolidin-2-yl)methyl]piperazine?
The InChIKey is VLCIFIGXQHIRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3/c1-2-22-9-5-8-19(22)16-21-10-12-23(13-11-21)20-14-17-6-3-4-7-18(17)15-20/h3-4,6-7,19-20H,2,5,8-16H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-2-yl)-4-[(1-ethylpyrrolidin-2-yl)methyl]piperazine?
1-(2,3-dihydro-1H-inden-2-yl)-4-[(1-ethylpyrrolidin-2-yl)methyl]piperazine has a molecular weight of 313.49 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-2-yl)-4-[(1-ethylpyrrolidin-2-yl)methyl]piperazine is sourced from PubChem (CID 91829884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).