1-[1-[(1E,6E)-3-methyl-8-azabicyclo[5.3.1]undeca-1,6,9-trien-10-yl]-2-piperazin-1-ylethyl]cyclohexan-1-ol

C23H37N3O — CID 143036770

IUPAC1-[1-[(1E,6E)-3-methyl-8-azabicyclo[5.3.1]undeca-1,6,9-trien-10-yl]-2-piperazin-1-ylethyl]cyclohexan-1-ol
SMILESCC1/C=C2\C/C(=C\CC1)NC=C2C(CN1CCNCC1)C1(O)CCCCC1
InChIInChI=1S/C23H37N3O/c1-18-6-5-7-20-15-19(14-18)21(16-25-20)22(17-26-12-10-24-11-13-26)23(27)8-3-2-4-9-23/h7,14,16,18,22,24-25,27H,2-6,8-13,15,17H2,1H3/b19-14+,20-7+
InChIKeyFFZCJPKUIFVXCH-SPNVPMCISA-N
MW371.57 g/mol
LogP3.32
Rot. Bonds4

About 1-[1-[(1E,6E)-3-methyl-8-azabicyclo[5.3.1]undeca-1,6,9-trien-10-yl]-2-piperazin-1-ylethyl]cyclohexan-1-ol

1-[1-[(1E,6E)-3-methyl-8-azabicyclo[5.3.1]undeca-1,6,9-trien-10-yl]-2-piperazin-1-ylethyl]cyclohexan-1-ol (PubChem CID 143036770) has the molecular formula C23H37N3O and a molecular weight of 371.57 g/mol. Its IUPAC name is 1-[1-[(1E,6E)-3-methyl-8-azabicyclo[5.3.1]undeca-1,6,9-trien-10-yl]-2-piperazin-1-ylethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[1-[(1E,6E)-3-methyl-8-azabicyclo[5.3.1]undeca-1,6,9-trien-10-yl]-2-piperazin-1-ylethyl]cyclohexan-1-ol
PubChem CID143036770
Molecular FormulaC23H37N3O
Molecular Weight371.57 g/mol
Exact Mass371.29
IUPAC Name1-[1-[(1E,6E)-3-methyl-8-azabicyclo[5.3.1]undeca-1,6,9-trien-10-yl]-2-piperazin-1-ylethyl]cyclohexan-1-ol
SMILESCC1/C=C2\C/C(=C\CC1)NC=C2C(CN1CCNCC1)C1(O)CCCCC1
InChIInChI=1S/C23H37N3O/c1-18-6-5-7-20-15-19(14-18)21(16-25-20)22(17-26-12-10-24-11-13-26)23(27)8-3-2-4-9-23/h7,14,16,18,22,24-25,27H,2-6,8-13,15,17H2,1H3/b19-14+,20-7+
InChIKeyFFZCJPKUIFVXCH-SPNVPMCISA-N
XLogP3.32
TPSA47.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.57
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[1-[(1E,6E)-3-methyl-8-azabicyclo[5.3.1]undeca-1,6,9-trien-10-yl]-2-piperazin-1-ylethyl]cyclohexan-1-ol with MolForge

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Related Compounds

1-[6-(Cyclohexen-1-ylamino)-3-cyclohexylhexyl]-4-cyclohexylpiperidin-4-ol
CID 141854976
1-[(E,3E)-3-[[methyl-[(2E)-penta-2,4-dien-2-yl]amino]methylidene]-1-piperazin-1-ylhex-4-en-2-yl]cyclohexan-1-ol
CID 143036755
1-[1-(6-Ethenylcyclohepta-1,3,6-trien-1-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol
CID 143037017
1-[1-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]-2-piperazin-1-ylethyl]cyclohexan-1-ol
CID 143037756
ethane;1-[1-[(4Z,5E)-5-ethylidene-1-methyl-4-propylidenepyrrol-3-yl]-2-piperazin-1-ylethyl]cyclohexan-1-ol
CID 143037766
1-[1-[(4Z,5E)-5-ethylidene-1-methyl-4-propylidenepyrrol-3-yl]-2-piperazin-1-ylethyl]cyclohexan-1-ol
CID 143037767

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1E,6E)-3-methyl-8-azabicyclo[5.3.1]undeca-1,6,9-trien-10-yl]-2-piperazin-1-ylethyl]cyclohexan-1-ol?
The IUPAC name of 1-[1-[(1E,6E)-3-methyl-8-azabicyclo[5.3.1]undeca-1,6,9-trien-10-yl]-2-piperazin-1-ylethyl]cyclohexan-1-ol (CID 143036770) is 1-[1-[(1E,6E)-3-methyl-8-azabicyclo[5.3.1]undeca-1,6,9-trien-10-yl]-2-piperazin-1-ylethyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[1-[(1E,6E)-3-methyl-8-azabicyclo[5.3.1]undeca-1,6,9-trien-10-yl]-2-piperazin-1-ylethyl]cyclohexan-1-ol?
The canonical SMILES for 1-[1-[(1E,6E)-3-methyl-8-azabicyclo[5.3.1]undeca-1,6,9-trien-10-yl]-2-piperazin-1-ylethyl]cyclohexan-1-ol is CC1/C=C2\C/C(=C\CC1)NC=C2C(CN1CCNCC1)C1(O)CCCCC1.
What is the InChIKey of 1-[1-[(1E,6E)-3-methyl-8-azabicyclo[5.3.1]undeca-1,6,9-trien-10-yl]-2-piperazin-1-ylethyl]cyclohexan-1-ol?
The InChIKey is FFZCJPKUIFVXCH-SPNVPMCISA-N. The full InChI is InChI=1S/C23H37N3O/c1-18-6-5-7-20-15-19(14-18)21(16-25-20)22(17-26-12-10-24-11-13-26)23(27)8-3-2-4-9-23/h7,14,16,18,22,24-25,27H,2-6,8-13,15,17H2,1H3/b19-14+,20-7+.
What are the key properties of 1-[1-[(1E,6E)-3-methyl-8-azabicyclo[5.3.1]undeca-1,6,9-trien-10-yl]-2-piperazin-1-ylethyl]cyclohexan-1-ol?
1-[1-[(1E,6E)-3-methyl-8-azabicyclo[5.3.1]undeca-1,6,9-trien-10-yl]-2-piperazin-1-ylethyl]cyclohexan-1-ol has a molecular weight of 371.57 g/mol, XLogP of 3.32, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1E,6E)-3-methyl-8-azabicyclo[5.3.1]undeca-1,6,9-trien-10-yl]-2-piperazin-1-ylethyl]cyclohexan-1-ol is sourced from PubChem (CID 143036770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).