1-(4-chlorophenyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-ol

C18H22ClFN4O — CID 59144919

IUPAC1-(4-chlorophenyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-ol
SMILESOC(CCCN1CCN(c2ncc(F)cn2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H22ClFN4O/c19-15-5-3-14(4-6-15)17(25)2-1-7-23-8-10-24(11-9-23)18-21-12-16(20)13-22-18/h3-6,12-13,17,25H,1-2,7-11H2
InChIKeyLEQXOJUKLRHKIE-UHFFFAOYSA-N
MW364.85 g/mol
LogP2.90
Rot. Bonds6

About 1-(4-chlorophenyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-ol

1-(4-chlorophenyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-ol (PubChem CID 59144919) has the molecular formula C18H22ClFN4O and a molecular weight of 364.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-ol
PubChem CID59144919
Molecular FormulaC18H22ClFN4O
Molecular Weight364.85 g/mol
Exact Mass364.15
IUPAC Name1-(4-chlorophenyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-ol
SMILESOC(CCCN1CCN(c2ncc(F)cn2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H22ClFN4O/c19-15-5-3-14(4-6-15)17(25)2-1-7-23-8-10-24(11-9-23)18-21-12-16(20)13-22-18/h3-6,12-13,17,25H,1-2,7-11H2
InChIKeyLEQXOJUKLRHKIE-UHFFFAOYSA-N
XLogP2.90
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-chlorophenyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-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

(1S)-1-(4-fluorophenyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-ol
CID 10020651
4-[4-(5-fluoro-4-methylsulfanylpyrimidin-2-yl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-ol
CID 10363230
3-(4-fluorophenyl)-6-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]hexanoic acid
CID 56994409
N-[1-(4-fluorophenyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]benzamide
CID 54386733
1-(4-fluorophenyl)-4-morpholin-4-ylbutan-1-ol
CID 4132449
1-(4-chlorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-ol
CID 62644931
1-(2-chloroethyl)-4-(5-fluoropyrimidin-2-yl)-1,4-diazepane
CID 104606670
1-[3-(4-chlorophenyl)-3-hydroxypropyl]piperidin-4-one
CID 82073439
1-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]-3-(4-chlorophenyl)sulfanylpropan-2-ol
CID 3072724
(1S)-1-(4-chlorophenyl)-2-(4-propylpiperazin-1-yl)ethanol
CID 95299218
1-(4-fluorophenyl)-4-[4-(2-methylfuro[3,2-c]pyridin-4-yl)piperazin-1-yl]butan-1-ol;hydrochloride
CID 45263983
1-(4-chlorophenyl)-4-(4-methylpentyl)piperazine
CID 59966261

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-ol?
The IUPAC name of 1-(4-chlorophenyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-ol (CID 59144919) is 1-(4-chlorophenyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-ol.
What is the SMILES notation for 1-(4-chlorophenyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-ol?
The canonical SMILES for 1-(4-chlorophenyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-ol is OC(CCCN1CCN(c2ncc(F)cn2)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-ol?
The InChIKey is LEQXOJUKLRHKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClFN4O/c19-15-5-3-14(4-6-15)17(25)2-1-7-23-8-10-24(11-9-23)18-21-12-16(20)13-22-18/h3-6,12-13,17,25H,1-2,7-11H2.
What are the key properties of 1-(4-chlorophenyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-ol?
1-(4-chlorophenyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-ol has a molecular weight of 364.85 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-ol is sourced from PubChem (CID 59144919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).