1-(2,3-dihydro-1H-inden-2-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-amine

C25H30N4 — CID 45212041

IUPAC1-(2,3-dihydro-1H-inden-2-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-amine
SMILESc1ccc(Cn2cccn2)c(CNC2CCCN(C3Cc4ccccc4C3)C2)c1
InChIInChI=1S/C25H30N4/c1-2-8-21-16-25(15-20(21)7-1)28-13-5-11-24(19-28)26-17-22-9-3-4-10-23(22)18-29-14-6-12-27-29/h1-4,6-10,12,14,24-26H,5,11,13,15-19H2
InChIKeyOLQLLPFRJYNOOL-UHFFFAOYSA-N
MW386.54 g/mol
LogP3.65
Rot. Bonds6

About 1-(2,3-dihydro-1H-inden-2-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-amine

1-(2,3-dihydro-1H-inden-2-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-amine (PubChem CID 45212041) has the molecular formula C25H30N4 and a molecular weight of 386.54 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-2-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-2-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-amine
PubChem CID45212041
Molecular FormulaC25H30N4
Molecular Weight386.54 g/mol
Exact Mass386.25
IUPAC Name1-(2,3-dihydro-1H-inden-2-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-amine
SMILESc1ccc(Cn2cccn2)c(CNC2CCCN(C3Cc4ccccc4C3)C2)c1
InChIInChI=1S/C25H30N4/c1-2-8-21-16-25(15-20(21)7-1)28-13-5-11-24(19-28)26-17-22-9-3-4-10-23(22)18-29-14-6-12-27-29/h1-4,6-10,12,14,24-26H,5,11,13,15-19H2
InChIKeyOLQLLPFRJYNOOL-UHFFFAOYSA-N
XLogP3.65
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-amine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-amine (CID 45212041) is 1-(2,3-dihydro-1H-inden-2-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-amine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-2-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-amine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-2-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-amine is c1ccc(Cn2cccn2)c(CNC2CCCN(C3Cc4ccccc4C3)C2)c1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-2-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-amine?
The InChIKey is OLQLLPFRJYNOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4/c1-2-8-21-16-25(15-20(21)7-1)28-13-5-11-24(19-28)26-17-22-9-3-4-10-23(22)18-29-14-6-12-27-29/h1-4,6-10,12,14,24-26H,5,11,13,15-19H2.
What are the key properties of 1-(2,3-dihydro-1H-inden-2-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-amine?
1-(2,3-dihydro-1H-inden-2-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-amine has a molecular weight of 386.54 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-2-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-amine is sourced from PubChem (CID 45212041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).