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

C21H27N3 — CID 97409634

IUPAC(1S)-1'-ethyl-N-(pyridin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine
SMILESCCN1CCC2(CC1)C[C@H](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/t20-/m0/s1
InChIKeyRZPKUFLFLMNXFY-FQEVSTJZSA-N
MW321.47 g/mol
LogP3.67
Rot. Bonds4

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

(1S)-1'-ethyl-N-(pyridin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine (PubChem CID 97409634) has the molecular formula C21H27N3 and a molecular weight of 321.47 g/mol. Its IUPAC name is (1S)-1'-ethyl-N-(pyridin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine.

Molecular Properties

Compound Name(1S)-1'-ethyl-N-(pyridin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine
PubChem CID97409634
Molecular FormulaC21H27N3
Molecular Weight321.47 g/mol
Exact Mass321.22
IUPAC Name(1S)-1'-ethyl-N-(pyridin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine
SMILESCCN1CCC2(CC1)C[C@H](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/t20-/m0/s1
InChIKeyRZPKUFLFLMNXFY-FQEVSTJZSA-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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Frequently Asked Questions

What is the IUPAC name of (1S)-1'-ethyl-N-(pyridin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine?
The IUPAC name of (1S)-1'-ethyl-N-(pyridin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine (CID 97409634) is (1S)-1'-ethyl-N-(pyridin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine.
What is the SMILES notation for (1S)-1'-ethyl-N-(pyridin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine?
The canonical SMILES for (1S)-1'-ethyl-N-(pyridin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine is CCN1CCC2(CC1)C[C@H](NCc1ccncc1)c1ccccc12.
What is the InChIKey of (1S)-1'-ethyl-N-(pyridin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine?
The InChIKey is RZPKUFLFLMNXFY-FQEVSTJZSA-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/t20-/m0/s1.
What are the key properties of (1S)-1'-ethyl-N-(pyridin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine?
(1S)-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 (1S)-1'-ethyl-N-(pyridin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine is sourced from PubChem (CID 97409634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).