3-cyclohexyl-1-(2,3-dihydro-1H-inden-2-yl)piperazine

C19H28N2 — CID 107854036

IUPAC3-cyclohexyl-1-(2,3-dihydro-1H-inden-2-yl)piperazine
SMILESc1ccc2c(c1)CC(N1CCNC(C3CCCCC3)C1)C2
InChIInChI=1S/C19H28N2/c1-2-6-15(7-3-1)19-14-21(11-10-20-19)18-12-16-8-4-5-9-17(16)13-18/h4-5,8-9,15,18-20H,1-3,6-7,10-14H2
InChIKeyAOXYXIMWGRYEHV-UHFFFAOYSA-N
MW284.45 g/mol
LogP3.01
Rot. Bonds2

About 3-cyclohexyl-1-(2,3-dihydro-1H-inden-2-yl)piperazine

3-cyclohexyl-1-(2,3-dihydro-1H-inden-2-yl)piperazine (PubChem CID 107854036) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is 3-cyclohexyl-1-(2,3-dihydro-1H-inden-2-yl)piperazine.

Molecular Properties

Compound Name3-cyclohexyl-1-(2,3-dihydro-1H-inden-2-yl)piperazine
PubChem CID107854036
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC Name3-cyclohexyl-1-(2,3-dihydro-1H-inden-2-yl)piperazine
SMILESc1ccc2c(c1)CC(N1CCNC(C3CCCCC3)C1)C2
InChIInChI=1S/C19H28N2/c1-2-6-15(7-3-1)19-14-21(11-10-20-19)18-12-16-8-4-5-9-17(16)13-18/h4-5,8-9,15,18-20H,1-3,6-7,10-14H2
InChIKeyAOXYXIMWGRYEHV-UHFFFAOYSA-N
XLogP3.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(2,3-dihydro-1H-inden-2-yl)piperazine?
The IUPAC name of 3-cyclohexyl-1-(2,3-dihydro-1H-inden-2-yl)piperazine (CID 107854036) is 3-cyclohexyl-1-(2,3-dihydro-1H-inden-2-yl)piperazine.
What is the SMILES notation for 3-cyclohexyl-1-(2,3-dihydro-1H-inden-2-yl)piperazine?
The canonical SMILES for 3-cyclohexyl-1-(2,3-dihydro-1H-inden-2-yl)piperazine is c1ccc2c(c1)CC(N1CCNC(C3CCCCC3)C1)C2.
What is the InChIKey of 3-cyclohexyl-1-(2,3-dihydro-1H-inden-2-yl)piperazine?
The InChIKey is AOXYXIMWGRYEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2/c1-2-6-15(7-3-1)19-14-21(11-10-20-19)18-12-16-8-4-5-9-17(16)13-18/h4-5,8-9,15,18-20H,1-3,6-7,10-14H2.
What are the key properties of 3-cyclohexyl-1-(2,3-dihydro-1H-inden-2-yl)piperazine?
3-cyclohexyl-1-(2,3-dihydro-1H-inden-2-yl)piperazine has a molecular weight of 284.45 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(2,3-dihydro-1H-inden-2-yl)piperazine is sourced from PubChem (CID 107854036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).