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

C23H39N3O — CID 143036755

IUPAC1-[(E,3E)-3-[[methyl-[(2E)-penta-2,4-dien-2-yl]amino]methylidene]-1-piperazin-1-ylhex-4-en-2-yl]cyclohexan-1-ol
SMILESC=C/C=C(\C)N(C)/C=C(\C=C\C)C(CN1CCNCC1)C1(O)CCCCC1
InChIInChI=1S/C23H39N3O/c1-5-10-20(3)25(4)18-21(11-6-2)22(19-26-16-14-24-15-17-26)23(27)12-8-7-9-13-23/h5-6,10-11,18,22,24,27H,1,7-9,12-17,19H2,2-4H3/b11-6+,20-10+,21-18+
InChIKeyYJWJTVDNEOYJLM-WEKLTQBNSA-N
MW373.59 g/mol
LogP3.68
Rot. Bonds8

About 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

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 (PubChem CID 143036755) has the molecular formula C23H39N3O and a molecular weight of 373.59 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[(E,3E)-3-[[methyl-[(2E)-penta-2,4-dien-2-yl]amino]methylidene]-1-piperazin-1-ylhex-4-en-2-yl]cyclohexan-1-ol
PubChem CID143036755
Molecular FormulaC23H39N3O
Molecular Weight373.59 g/mol
Exact Mass373.31
IUPAC Name1-[(E,3E)-3-[[methyl-[(2E)-penta-2,4-dien-2-yl]amino]methylidene]-1-piperazin-1-ylhex-4-en-2-yl]cyclohexan-1-ol
SMILESC=C/C=C(\C)N(C)/C=C(\C=C\C)C(CN1CCNCC1)C1(O)CCCCC1
InChIInChI=1S/C23H39N3O/c1-5-10-20(3)25(4)18-21(11-6-2)22(19-26-16-14-24-15-17-26)23(27)12-8-7-9-13-23/h5-6,10-11,18,22,24,27H,1,7-9,12-17,19H2,2-4H3/b11-6+,20-10+,21-18+
InChIKeyYJWJTVDNEOYJLM-WEKLTQBNSA-N
XLogP3.68
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.59
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
1-[1-(6-Ethenylcyclohepta-1,3,6-trien-1-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol
CID 143037017
1-[(3E,5Z)-7-chloro-3-methyl-1-[3-(methylamino)-2,5-dihydropyrrol-1-yl]octa-3,5,7-trien-2-yl]cyclohexan-1-ol
CID 143037728
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
(2S,3Z,6R,7E,11S)-11-(1-hydroxycyclohexyl)-2,6,7,11-tetramethyl-12-piperazin-1-yldodeca-3,7-dienenitrile
CID 163671935
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-[(E,3E)-3-[[methyl-[(2E)-penta-2,4-dien-2-yl]amino]methylidene]-1-piperazin-1-ylhex-4-en-2-yl]cyclohexan-1-ol?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C/C=C(\C)N(C)/C=C(\C=C\C)C(CN1CCNCC1)C1(O)CCCCC1.
What is the InChIKey of 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?
The InChIKey is YJWJTVDNEOYJLM-WEKLTQBNSA-N. The full InChI is InChI=1S/C23H39N3O/c1-5-10-20(3)25(4)18-21(11-6-2)22(19-26-16-14-24-15-17-26)23(27)12-8-7-9-13-23/h5-6,10-11,18,22,24,27H,1,7-9,12-17,19H2,2-4H3/b11-6+,20-10+,21-18+.
What are the key properties of 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?
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 has a molecular weight of 373.59 g/mol, XLogP of 3.68, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 143036755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).