1'-ethyl-N-(pyridin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine

C21H27N3 — CID 131642536

IUPAC1'-ethyl-N-(pyridin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine
SMILESCCN1CCC2(CC1)CC(NCc1ccncc1)c1ccccc12
InChIInChI=1S/C21H27N3/c1-2-24-13-9-21(10-14-24)15-20(18-5-3-4-6-19(18)21)23-16-17-7-11-22-12-8-17/h3-8,11-12,20,23H,2,9-10,13-16H2,1H3
InChIKeyRZPKUFLFLMNXFY-UHFFFAOYSA-N
MW321.47 g/mol
LogP3.67
Rot. Bonds4

About 1'-ethyl-N-(pyridin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine

1'-ethyl-N-(pyridin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine (PubChem CID 131642536) has the molecular formula C21H27N3 and a molecular weight of 321.47 g/mol. Its IUPAC name is 1'-ethyl-N-(pyridin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine.

Molecular Properties

Compound Name1'-ethyl-N-(pyridin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine
PubChem CID131642536
Molecular FormulaC21H27N3
Molecular Weight321.47 g/mol
Exact Mass321.22
IUPAC Name1'-ethyl-N-(pyridin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine
SMILESCCN1CCC2(CC1)CC(NCc1ccncc1)c1ccccc12
InChIInChI=1S/C21H27N3/c1-2-24-13-9-21(10-14-24)15-20(18-5-3-4-6-19(18)21)23-16-17-7-11-22-12-8-17/h3-8,11-12,20,23H,2,9-10,13-16H2,1H3
InChIKeyRZPKUFLFLMNXFY-UHFFFAOYSA-N
XLogP3.67
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1'-ethyl-N-(pyridin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine
CID 97409634
4,4-dimethyl-N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-naphthalen-1-amine
CID 43147420
(1S)-1'-(2-methoxyethyl)-N-[(3-methylimidazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine
CID 97400181
N-[1'-(9H-carbazol-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-pyridin-4-ylacetamide
CID 10481112
1'-ethyl-N-(pyridin-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 134075744
N-cyclobutyl-2-[(1R)-1'-(pyridin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97375895
4-methyl-N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115418185
N-[1'-(2-hydroxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-4-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 118745634
1-phenyl-1'-propylspiro[1,2-dihydroindene-3,4'-piperidine]
CID 142167665
N-(cyclopropylmethyl)-2-[(1R)-1'-(pyridin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97375811
CID 134788719
CID 134788719
N,N-diethyl-2-[1'-(pyridin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;bis(2,2,2-trifluoroacetic acid)
CID 155837322

Frequently Asked Questions

What is the IUPAC name of 1'-ethyl-N-(pyridin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine?
The IUPAC name of 1'-ethyl-N-(pyridin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine (CID 131642536) is 1'-ethyl-N-(pyridin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine.
What is the SMILES notation for 1'-ethyl-N-(pyridin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine?
The canonical SMILES for 1'-ethyl-N-(pyridin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine is CCN1CCC2(CC1)CC(NCc1ccncc1)c1ccccc12.
What is the InChIKey of 1'-ethyl-N-(pyridin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine?
The InChIKey is RZPKUFLFLMNXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3/c1-2-24-13-9-21(10-14-24)15-20(18-5-3-4-6-19(18)21)23-16-17-7-11-22-12-8-17/h3-8,11-12,20,23H,2,9-10,13-16H2,1H3.
What are the key properties of 1'-ethyl-N-(pyridin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine?
1'-ethyl-N-(pyridin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine has a molecular weight of 321.47 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-ethyl-N-(pyridin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine is sourced from PubChem (CID 131642536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).