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1-[1-[(4Z,5E)-5-ethylidene-1-methyl-4-propylidenepyrrol-3-yl]-2-piperazin-1-ylethyl]cyclohexan-1-ol

C22H37N3O — CID 143037767

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-[1-[(4Z,5E)-5-ethylidene-1-methyl-4-propylidenepyrrol-3-yl]-2-piperazin-1-ylethyl]cyclohexan-1-ol
SMILESC/C=c1\c(=C/CC)c(C(CN2CCNCC2)C2(O)CCCCC2)cn1C
InChIInChI=1S/C22H37N3O/c1-4-9-18-19(16-24(3)21(18)5-2)20(17-25-14-12-23-13-15-25)22(26)10-7-6-8-11-22/h5,9,16,20,23,26H,4,6-8,10-15,17H2,1-3H3/b18-9-,21-5+
InChIKeyYFQJYAVKJXSQRS-DITUDWBESA-N
MW359.56 g/mol
LogP1.70
Rot. Bonds5

About 1-[1-[(4Z,5E)-5-ethylidene-1-methyl-4-propylidenepyrrol-3-yl]-2-piperazin-1-ylethyl]cyclohexan-1-ol

1-[1-[(4Z,5E)-5-ethylidene-1-methyl-4-propylidenepyrrol-3-yl]-2-piperazin-1-ylethyl]cyclohexan-1-ol (PubChem CID 143037767) has the molecular formula C22H37N3O and a molecular weight of 359.56 g/mol. Its IUPAC name is 1-[1-[(4Z,5E)-5-ethylidene-1-methyl-4-propylidenepyrrol-3-yl]-2-piperazin-1-ylethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[1-[(4Z,5E)-5-ethylidene-1-methyl-4-propylidenepyrrol-3-yl]-2-piperazin-1-ylethyl]cyclohexan-1-ol
PubChem CID143037767
Molecular FormulaC22H37N3O
Molecular Weight359.56 g/mol
Exact Mass359.29
IUPAC Name1-[1-[(4Z,5E)-5-ethylidene-1-methyl-4-propylidenepyrrol-3-yl]-2-piperazin-1-ylethyl]cyclohexan-1-ol
SMILESC/C=c1\c(=C/CC)c(C(CN2CCNCC2)C2(O)CCCCC2)cn1C
InChIInChI=1S/C22H37N3O/c1-4-9-18-19(16-24(3)21(18)5-2)20(17-25-14-12-23-13-15-25)22(26)10-7-6-8-11-22/h5,9,16,20,23,26H,4,6-8,10-15,17H2,1-3H3/b18-9-,21-5+
InChIKeyYFQJYAVKJXSQRS-DITUDWBESA-N
XLogP1.70
TPSA40.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.56
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4Z,5E)-5-ethylidene-1-methyl-4-propylidenepyrrol-3-yl]-2-piperazin-1-ylethyl]cyclohexan-1-ol?
The IUPAC name of 1-[1-[(4Z,5E)-5-ethylidene-1-methyl-4-propylidenepyrrol-3-yl]-2-piperazin-1-ylethyl]cyclohexan-1-ol (CID 143037767) is 1-[1-[(4Z,5E)-5-ethylidene-1-methyl-4-propylidenepyrrol-3-yl]-2-piperazin-1-ylethyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[1-[(4Z,5E)-5-ethylidene-1-methyl-4-propylidenepyrrol-3-yl]-2-piperazin-1-ylethyl]cyclohexan-1-ol?
The canonical SMILES for 1-[1-[(4Z,5E)-5-ethylidene-1-methyl-4-propylidenepyrrol-3-yl]-2-piperazin-1-ylethyl]cyclohexan-1-ol is C/C=c1\c(=C/CC)c(C(CN2CCNCC2)C2(O)CCCCC2)cn1C.
What is the InChIKey of 1-[1-[(4Z,5E)-5-ethylidene-1-methyl-4-propylidenepyrrol-3-yl]-2-piperazin-1-ylethyl]cyclohexan-1-ol?
The InChIKey is YFQJYAVKJXSQRS-DITUDWBESA-N. The full InChI is InChI=1S/C22H37N3O/c1-4-9-18-19(16-24(3)21(18)5-2)20(17-25-14-12-23-13-15-25)22(26)10-7-6-8-11-22/h5,9,16,20,23,26H,4,6-8,10-15,17H2,1-3H3/b18-9-,21-5+.
What are the key properties of 1-[1-[(4Z,5E)-5-ethylidene-1-methyl-4-propylidenepyrrol-3-yl]-2-piperazin-1-ylethyl]cyclohexan-1-ol?
1-[1-[(4Z,5E)-5-ethylidene-1-methyl-4-propylidenepyrrol-3-yl]-2-piperazin-1-ylethyl]cyclohexan-1-ol has a molecular weight of 359.56 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4Z,5E)-5-ethylidene-1-methyl-4-propylidenepyrrol-3-yl]-2-piperazin-1-ylethyl]cyclohexan-1-ol is sourced from PubChem (CID 143037767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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