1-[1-(3-methoxyphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)prop-1-enyl]cyclohexan-1-ol

C24H32N4O2 — CID 54124644

IUPAC1-[1-(3-methoxyphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)prop-1-enyl]cyclohexan-1-ol
SMILESCOc1cccc(C(=CCN2CCN(c3ncccn3)CC2)C2(O)CCCCC2)c1
InChIInChI=1S/C24H32N4O2/c1-30-21-8-5-7-20(19-21)22(24(29)10-3-2-4-11-24)9-14-27-15-17-28(18-16-27)23-25-12-6-13-26-23/h5-9,12-13,19,29H,2-4,10-11,14-18H2,1H3
InChIKeyNQCFXIFHQYWNCS-UHFFFAOYSA-N
MW408.55 g/mol
LogP3.39
Rot. Bonds6

About 1-[1-(3-methoxyphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)prop-1-enyl]cyclohexan-1-ol

1-[1-(3-methoxyphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)prop-1-enyl]cyclohexan-1-ol (PubChem CID 54124644) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 1-[1-(3-methoxyphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)prop-1-enyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[1-(3-methoxyphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)prop-1-enyl]cyclohexan-1-ol
PubChem CID54124644
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC Name1-[1-(3-methoxyphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)prop-1-enyl]cyclohexan-1-ol
SMILESCOc1cccc(C(=CCN2CCN(c3ncccn3)CC2)C2(O)CCCCC2)c1
InChIInChI=1S/C24H32N4O2/c1-30-21-8-5-7-20(19-21)22(24(29)10-3-2-4-11-24)9-14-27-15-17-28(18-16-27)23-25-12-6-13-26-23/h5-9,12-13,19,29H,2-4,10-11,14-18H2,1H3
InChIKeyNQCFXIFHQYWNCS-UHFFFAOYSA-N
XLogP3.39
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[1-(3-methoxyphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)prop-1-enyl]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(E)-3-(4-benzylpiperazin-1-yl)-1-(3-methoxyphenyl)prop-1-enyl]cyclohexan-1-ol
CID 14209157
1-[3-(4-benzylpiperazin-1-yl)-1-(3-methoxyphenyl)prop-1-enyl]cyclohexan-1-ol;dihydrochloride
CID 70418314
1-[(Z)-3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-1-(3-methoxyphenyl)prop-1-enyl]cyclohexan-1-ol
CID 70419015
3-methoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide
CID 31413337
1-(3-methoxyphenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol
CID 5150847
1-(3-methoxyphenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol chloride
CID 53347090
5-methoxy-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenol
CID 3816451
(Z)-but-2-enedioic acid;2-[4-[[3-(3-methoxyphenyl)phenyl]methyl]piperazin-1-yl]pyrimidine
CID 70248111
1-[3-[(2S)-2-hydroxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]phenyl]ethanone
CID 31061773
N-[2-[(1-hydroxycyclohexanecarbonyl)amino]ethyl]-3-methoxybenzamide
CID 122150789
N,N-diethyl-4-[4-(3-methoxyphenyl)-1-pyrimidin-2-ylpiperidin-4-yl]benzamide
CID 22729931
1-[(E)-4-(3-methoxyphenoxy)but-2-enyl]piperidine
CID 27241782

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methoxyphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)prop-1-enyl]cyclohexan-1-ol?
The IUPAC name of 1-[1-(3-methoxyphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)prop-1-enyl]cyclohexan-1-ol (CID 54124644) is 1-[1-(3-methoxyphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)prop-1-enyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[1-(3-methoxyphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)prop-1-enyl]cyclohexan-1-ol?
The canonical SMILES for 1-[1-(3-methoxyphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)prop-1-enyl]cyclohexan-1-ol is COc1cccc(C(=CCN2CCN(c3ncccn3)CC2)C2(O)CCCCC2)c1.
What is the InChIKey of 1-[1-(3-methoxyphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)prop-1-enyl]cyclohexan-1-ol?
The InChIKey is NQCFXIFHQYWNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-30-21-8-5-7-20(19-21)22(24(29)10-3-2-4-11-24)9-14-27-15-17-28(18-16-27)23-25-12-6-13-26-23/h5-9,12-13,19,29H,2-4,10-11,14-18H2,1H3.
What are the key properties of 1-[1-(3-methoxyphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)prop-1-enyl]cyclohexan-1-ol?
1-[1-(3-methoxyphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)prop-1-enyl]cyclohexan-1-ol has a molecular weight of 408.55 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methoxyphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)prop-1-enyl]cyclohexan-1-ol is sourced from PubChem (CID 54124644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).