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1-[1-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]-2-piperazin-1-ylethyl]cyclohexan-1-ol

C20H33N3O — CID 143037756

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

IUPAC1-[1-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]-2-piperazin-1-ylethyl]cyclohexan-1-ol
SMILESC/C=c1/c(C(CN2CCNCC2)C2(O)CCCCC2)c[nH]/c1=C/C
InChIInChI=1S/C20H33N3O/c1-3-16-17(14-22-19(16)4-2)18(15-23-12-10-21-11-13-23)20(24)8-6-5-7-9-20/h3-4,14,18,21-22,24H,5-13,15H2,1-2H3/b16-3-,19-4+
InChIKeySODPNRHJTNBBRB-KRZGJESGSA-N
MW331.50 g/mol
LogP1.30
Rot. Bonds4

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

1-[1-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]-2-piperazin-1-ylethyl]cyclohexan-1-ol (PubChem CID 143037756) has the molecular formula C20H33N3O and a molecular weight of 331.50 g/mol. Its IUPAC name is 1-[1-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]-2-piperazin-1-ylethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[1-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]-2-piperazin-1-ylethyl]cyclohexan-1-ol
PubChem CID143037756
Molecular FormulaC20H33N3O
Molecular Weight331.50 g/mol
Exact Mass331.26
IUPAC Name1-[1-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]-2-piperazin-1-ylethyl]cyclohexan-1-ol
SMILESC/C=c1/c(C(CN2CCNCC2)C2(O)CCCCC2)c[nH]/c1=C/C
InChIInChI=1S/C20H33N3O/c1-3-16-17(14-22-19(16)4-2)18(15-23-12-10-21-11-13-23)20(24)8-6-5-7-9-20/h3-4,14,18,21-22,24H,5-13,15H2,1-2H3/b16-3-,19-4+
InChIKeySODPNRHJTNBBRB-KRZGJESGSA-N
XLogP1.30
TPSA51.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]-2-piperazin-1-ylethyl]cyclohexan-1-ol?
The IUPAC name of 1-[1-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]-2-piperazin-1-ylethyl]cyclohexan-1-ol (CID 143037756) is 1-[1-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]-2-piperazin-1-ylethyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[1-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]-2-piperazin-1-ylethyl]cyclohexan-1-ol?
The canonical SMILES for 1-[1-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]-2-piperazin-1-ylethyl]cyclohexan-1-ol is C/C=c1/c(C(CN2CCNCC2)C2(O)CCCCC2)c[nH]/c1=C/C.
What is the InChIKey of 1-[1-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]-2-piperazin-1-ylethyl]cyclohexan-1-ol?
The InChIKey is SODPNRHJTNBBRB-KRZGJESGSA-N. The full InChI is InChI=1S/C20H33N3O/c1-3-16-17(14-22-19(16)4-2)18(15-23-12-10-21-11-13-23)20(24)8-6-5-7-9-20/h3-4,14,18,21-22,24H,5-13,15H2,1-2H3/b16-3-,19-4+.
What are the key properties of 1-[1-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]-2-piperazin-1-ylethyl]cyclohexan-1-ol?
1-[1-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]-2-piperazin-1-ylethyl]cyclohexan-1-ol has a molecular weight of 331.50 g/mol, XLogP of 1.30, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]-2-piperazin-1-ylethyl]cyclohexan-1-ol is sourced from PubChem (CID 143037756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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