(Z)-4-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)but-3-en-2-ol

C16H24N2O2 — CID 24842156

IUPAC(Z)-4-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)but-3-en-2-ol
SMILESCOc1ccc(/C=C\C(O)CN2CCN(C)CC2)cc1
InChIInChI=1S/C16H24N2O2/c1-17-9-11-18(12-10-17)13-15(19)6-3-14-4-7-16(20-2)8-5-14/h3-8,15,19H,9-13H2,1-2H3/b6-3-
InChIKeyCIGFOMDIBYJISZ-UTCJRWHESA-N
MW276.38 g/mol
LogP1.32
Rot. Bonds5

About (Z)-4-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)but-3-en-2-ol

(Z)-4-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)but-3-en-2-ol (PubChem CID 24842156) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (Z)-4-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)but-3-en-2-ol.

Molecular Properties

Compound Name(Z)-4-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)but-3-en-2-ol
PubChem CID24842156
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(Z)-4-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)but-3-en-2-ol
SMILESCOc1ccc(/C=C\C(O)CN2CCN(C)CC2)cc1
InChIInChI=1S/C16H24N2O2/c1-17-9-11-18(12-10-17)13-15(19)6-3-14-4-7-16(20-2)8-5-14/h3-8,15,19H,9-13H2,1-2H3/b6-3-
InChIKeyCIGFOMDIBYJISZ-UTCJRWHESA-N
XLogP1.32
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 172554610
(E,2S)-1-chloro-4-(4-methoxyphenyl)but-3-en-2-ol
CID 102199471
(E)-3-(4-methoxyphenyl)prop-2-ene-1,1-diol
CID 88979121
1-[2-chloro-2-(4-methoxyphenyl)ethyl]-4-methylpiperazine
CID 82214808
(1R)-1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 30814031
1-(4-methoxyphenyl)hexa-1,5-dien-3-ol
CID 53401972
(E)-1-(diethylamino)-4-(4-methoxyphenyl)but-3-en-2-ol
CID 6366807
(2S)-1-[4-[(2S)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 7081025
1-methoxy-4-[(E)-3-[(2-methylpropan-2-yl)oxy]but-1-enyl]benzene
CID 14939551
(2E,4E)-5-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)penta-2,4-dien-1-one
CID 139551866
(E)-4-(4-bromophenyl)-1-morpholin-4-ylbut-3-en-2-ol
CID 11971886
tert-butyl N-[(1S)-1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]carbamate
CID 95617125

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)but-3-en-2-ol?
The IUPAC name of (Z)-4-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)but-3-en-2-ol (CID 24842156) is (Z)-4-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)but-3-en-2-ol.
What is the SMILES notation for (Z)-4-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)but-3-en-2-ol?
The canonical SMILES for (Z)-4-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)but-3-en-2-ol is COc1ccc(/C=C\C(O)CN2CCN(C)CC2)cc1.
What is the InChIKey of (Z)-4-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)but-3-en-2-ol?
The InChIKey is CIGFOMDIBYJISZ-UTCJRWHESA-N. The full InChI is InChI=1S/C16H24N2O2/c1-17-9-11-18(12-10-17)13-15(19)6-3-14-4-7-16(20-2)8-5-14/h3-8,15,19H,9-13H2,1-2H3/b6-3-.
What are the key properties of (Z)-4-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)but-3-en-2-ol?
(Z)-4-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)but-3-en-2-ol has a molecular weight of 276.38 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)but-3-en-2-ol is sourced from PubChem (CID 24842156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).