(4-chloro-2-methoxyphenyl)-[4-(2-hydroxybutyl)piperazin-1-yl]methanone

C16H23ClN2O3 — CID 167937294

IUPAC(4-chloro-2-methoxyphenyl)-[4-(2-hydroxybutyl)piperazin-1-yl]methanone
SMILESCCC(O)CN1CCN(C(=O)c2ccc(Cl)cc2OC)CC1
InChIInChI=1S/C16H23ClN2O3/c1-3-13(20)11-18-6-8-19(9-7-18)16(21)14-5-4-12(17)10-15(14)22-2/h4-5,10,13,20H,3,6-9,11H2,1-2H3
InChIKeyYLCUJMDXNYGORC-UHFFFAOYSA-N
MW326.82 g/mol
LogP1.88
Rot. Bonds5

About (4-chloro-2-methoxyphenyl)-[4-(2-hydroxybutyl)piperazin-1-yl]methanone

(4-chloro-2-methoxyphenyl)-[4-(2-hydroxybutyl)piperazin-1-yl]methanone (PubChem CID 167937294) has the molecular formula C16H23ClN2O3 and a molecular weight of 326.82 g/mol. Its IUPAC name is (4-chloro-2-methoxyphenyl)-[4-(2-hydroxybutyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-2-methoxyphenyl)-[4-(2-hydroxybutyl)piperazin-1-yl]methanone
PubChem CID167937294
Molecular FormulaC16H23ClN2O3
Molecular Weight326.82 g/mol
Exact Mass326.14
IUPAC Name(4-chloro-2-methoxyphenyl)-[4-(2-hydroxybutyl)piperazin-1-yl]methanone
SMILESCCC(O)CN1CCN(C(=O)c2ccc(Cl)cc2OC)CC1
InChIInChI=1S/C16H23ClN2O3/c1-3-13(20)11-18-6-8-19(9-7-18)16(21)14-5-4-12(17)10-15(14)22-2/h4-5,10,13,20H,3,6-9,11H2,1-2H3
InChIKeyYLCUJMDXNYGORC-UHFFFAOYSA-N
XLogP1.88
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,4-dichlorophenyl)-[4-(2-hydroxybutyl)piperazin-1-yl]methanone
CID 111105857
(2-fluoro-4-methoxyphenyl)-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methanone
CID 95345550
(2,4-dimethoxyphenyl)-[4-[(2S)-4,4,4-trifluoro-2-hydroxybutyl]piperazin-1-yl]methanone
CID 124861261
(2-ethoxyphenyl)-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]methanone
CID 95613064
[4-[(E)-but-2-enyl]-1,4-diazepan-1-yl]-(4-chloro-2-methoxyphenyl)methanone
CID 134713238
(2,4-dichlorophenyl)-[4-(2-hydroxy-3-propan-2-yloxypropyl)piperazin-1-yl]methanone
CID 78866935
(5-chloro-2-fluorophenyl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95351618
(4-chloro-2-methoxyphenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671460
(2,5-dichlorophenyl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95337497
1-(4-chloro-2-methoxybenzoyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 63144862
(5-chloro-2-propan-2-yloxyphenyl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 56779930
(2-chloro-4-fluorophenyl)-[4-[(2S)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95322496

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-methoxyphenyl)-[4-(2-hydroxybutyl)piperazin-1-yl]methanone?
The IUPAC name of (4-chloro-2-methoxyphenyl)-[4-(2-hydroxybutyl)piperazin-1-yl]methanone (CID 167937294) is (4-chloro-2-methoxyphenyl)-[4-(2-hydroxybutyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-chloro-2-methoxyphenyl)-[4-(2-hydroxybutyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-chloro-2-methoxyphenyl)-[4-(2-hydroxybutyl)piperazin-1-yl]methanone is CCC(O)CN1CCN(C(=O)c2ccc(Cl)cc2OC)CC1.
What is the InChIKey of (4-chloro-2-methoxyphenyl)-[4-(2-hydroxybutyl)piperazin-1-yl]methanone?
The InChIKey is YLCUJMDXNYGORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3/c1-3-13(20)11-18-6-8-19(9-7-18)16(21)14-5-4-12(17)10-15(14)22-2/h4-5,10,13,20H,3,6-9,11H2,1-2H3.
What are the key properties of (4-chloro-2-methoxyphenyl)-[4-(2-hydroxybutyl)piperazin-1-yl]methanone?
(4-chloro-2-methoxyphenyl)-[4-(2-hydroxybutyl)piperazin-1-yl]methanone has a molecular weight of 326.82 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-methoxyphenyl)-[4-(2-hydroxybutyl)piperazin-1-yl]methanone is sourced from PubChem (CID 167937294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).