1-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-N-(2-pyrazol-1-ylethyl)piperidin-4-amine

C21H30N4 — CID 131928719

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-N-(2-pyrazol-1-ylethyl)piperidin-4-amine
SMILESCCN(CCn1cccn1)C1CCN(c2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C21H30N4/c1-2-23(15-16-25-12-4-11-22-25)20-9-13-24(14-10-20)21-8-7-18-5-3-6-19(18)17-21/h4,7-8,11-12,17,20H,2-3,5-6,9-10,13-16H2,1H3
InChIKeyAXEXXWQLGIBHSU-UHFFFAOYSA-N
MW338.50 g/mol
LogP3.36
Rot. Bonds6

About 1-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-N-(2-pyrazol-1-ylethyl)piperidin-4-amine

1-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-N-(2-pyrazol-1-ylethyl)piperidin-4-amine (PubChem CID 131928719) has the molecular formula C21H30N4 and a molecular weight of 338.50 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-N-(2-pyrazol-1-ylethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-N-(2-pyrazol-1-ylethyl)piperidin-4-amine
PubChem CID131928719
Molecular FormulaC21H30N4
Molecular Weight338.50 g/mol
Exact Mass338.25
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-N-(2-pyrazol-1-ylethyl)piperidin-4-amine
SMILESCCN(CCn1cccn1)C1CCN(c2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C21H30N4/c1-2-23(15-16-25-12-4-11-22-25)20-9-13-24(14-10-20)21-8-7-18-5-3-6-19(18)17-21/h4,7-8,11-12,17,20H,2-3,5-6,9-10,13-16H2,1H3
InChIKeyAXEXXWQLGIBHSU-UHFFFAOYSA-N
XLogP3.36
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-(4-(1H-pyrazol-1-yl)benzyl)-4-phenylpiperazine
CID 25333445
US11091488, Example 21
CID 141707669
2-{1-cyclopentyl-4-[2-methyl-4-(1H-pyrazol-1-yl)benzyl]piperazin-2-yl}ethanol
CID 16188362
4-(1-methyl-3-pyrrolidinyl)-1-[3-(1H-pyrazol-1-yl)benzyl]piperidine
CID 45245513
1,2-dimethyl-4-[2-(1H-pyrazol-1-ylmethyl)benzyl]piperazine
CID 50962406
2-{1-isobutyl-4-[2-methyl-4-(1H-pyrazol-1-yl)benzyl]piperazin-2-yl}ethanol
CID 16190049
US10301253, Example 38
CID 122463374
US11673883, Example 31
CID 132166416
(3S,8aS)-3-benzyl-2-[(5-methyl-1-propylpyrazol-4-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 16677061
(3R,8aS)-3-benzyl-2-[(5-methyl-1-propylpyrazol-4-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 16677777
(3S,8aS)-3-benzyl-2-[(1-ethenyl-5-methylpyrazol-4-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 16677840
1-(1-methylpyrazol-4-yl)-N-[(2-piperidin-1-yl-1,3-dihydroinden-2-yl)methyl]methanamine
CID 28309268

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-N-(2-pyrazol-1-ylethyl)piperidin-4-amine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-N-(2-pyrazol-1-ylethyl)piperidin-4-amine (CID 131928719) is 1-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-N-(2-pyrazol-1-ylethyl)piperidin-4-amine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-N-(2-pyrazol-1-ylethyl)piperidin-4-amine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-N-(2-pyrazol-1-ylethyl)piperidin-4-amine is CCN(CCn1cccn1)C1CCN(c2ccc3c(c2)CCC3)CC1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-N-(2-pyrazol-1-ylethyl)piperidin-4-amine?
The InChIKey is AXEXXWQLGIBHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4/c1-2-23(15-16-25-12-4-11-22-25)20-9-13-24(14-10-20)21-8-7-18-5-3-6-19(18)17-21/h4,7-8,11-12,17,20H,2-3,5-6,9-10,13-16H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-N-(2-pyrazol-1-ylethyl)piperidin-4-amine?
1-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-N-(2-pyrazol-1-ylethyl)piperidin-4-amine has a molecular weight of 338.50 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-N-(2-pyrazol-1-ylethyl)piperidin-4-amine is sourced from PubChem (CID 131928719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).