1-cyclohexyl-4-(7-propan-2-yloxycyclohepta-1,3,6-trien-1-yl)piperazine

C20H32N2O — CID 143389115

IUPAC1-cyclohexyl-4-(7-propan-2-yloxycyclohepta-1,3,6-trien-1-yl)piperazine
SMILESCC(C)OC1=CCC=CC=C1N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C20H32N2O/c1-17(2)23-20-12-8-4-7-11-19(20)22-15-13-21(14-16-22)18-9-5-3-6-10-18/h4,7,11-12,17-18H,3,5-6,8-10,13-16H2,1-2H3
InChIKeyGMEDZAWLAASZMU-UHFFFAOYSA-N
MW316.49 g/mol
LogP4.09
Rot. Bonds4

About 1-cyclohexyl-4-(7-propan-2-yloxycyclohepta-1,3,6-trien-1-yl)piperazine

1-cyclohexyl-4-(7-propan-2-yloxycyclohepta-1,3,6-trien-1-yl)piperazine (PubChem CID 143389115) has the molecular formula C20H32N2O and a molecular weight of 316.49 g/mol. Its IUPAC name is 1-cyclohexyl-4-(7-propan-2-yloxycyclohepta-1,3,6-trien-1-yl)piperazine.

Molecular Properties

Compound Name1-cyclohexyl-4-(7-propan-2-yloxycyclohepta-1,3,6-trien-1-yl)piperazine
PubChem CID143389115
Molecular FormulaC20H32N2O
Molecular Weight316.49 g/mol
Exact Mass316.25
IUPAC Name1-cyclohexyl-4-(7-propan-2-yloxycyclohepta-1,3,6-trien-1-yl)piperazine
SMILESCC(C)OC1=CCC=CC=C1N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C20H32N2O/c1-17(2)23-20-12-8-4-7-11-19(20)22-15-13-21(14-16-22)18-9-5-3-6-10-18/h4,7,11-12,17-18H,3,5-6,8-10,13-16H2,1-2H3
InChIKeyGMEDZAWLAASZMU-UHFFFAOYSA-N
XLogP4.09
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-(7-propan-2-yloxycyclohepta-1,3,6-trien-1-yl)piperazine?
The IUPAC name of 1-cyclohexyl-4-(7-propan-2-yloxycyclohepta-1,3,6-trien-1-yl)piperazine (CID 143389115) is 1-cyclohexyl-4-(7-propan-2-yloxycyclohepta-1,3,6-trien-1-yl)piperazine.
What is the SMILES notation for 1-cyclohexyl-4-(7-propan-2-yloxycyclohepta-1,3,6-trien-1-yl)piperazine?
The canonical SMILES for 1-cyclohexyl-4-(7-propan-2-yloxycyclohepta-1,3,6-trien-1-yl)piperazine is CC(C)OC1=CCC=CC=C1N1CCN(C2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-4-(7-propan-2-yloxycyclohepta-1,3,6-trien-1-yl)piperazine?
The InChIKey is GMEDZAWLAASZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O/c1-17(2)23-20-12-8-4-7-11-19(20)22-15-13-21(14-16-22)18-9-5-3-6-10-18/h4,7,11-12,17-18H,3,5-6,8-10,13-16H2,1-2H3.
What are the key properties of 1-cyclohexyl-4-(7-propan-2-yloxycyclohepta-1,3,6-trien-1-yl)piperazine?
1-cyclohexyl-4-(7-propan-2-yloxycyclohepta-1,3,6-trien-1-yl)piperazine has a molecular weight of 316.49 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-(7-propan-2-yloxycyclohepta-1,3,6-trien-1-yl)piperazine is sourced from PubChem (CID 143389115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).