3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylthiophen-3-yl)propan-1-ol

C19H26N2O2S — CID 46886853

IUPAC3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylthiophen-3-yl)propan-1-ol
SMILESCOc1ccccc1N1CCN(CCC(O)c2csc(C)c2)CC1
InChIInChI=1S/C19H26N2O2S/c1-15-13-16(14-24-15)18(22)7-8-20-9-11-21(12-10-20)17-5-3-4-6-19(17)23-2/h3-6,13-14,18,22H,7-12H2,1-2H3
InChIKeyHWWBNLQPAUOLHP-UHFFFAOYSA-N
MW346.50 g/mol
LogP3.31
Rot. Bonds6

About 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylthiophen-3-yl)propan-1-ol

3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylthiophen-3-yl)propan-1-ol (PubChem CID 46886853) has the molecular formula C19H26N2O2S and a molecular weight of 346.50 g/mol. Its IUPAC name is 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylthiophen-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylthiophen-3-yl)propan-1-ol
PubChem CID46886853
Molecular FormulaC19H26N2O2S
Molecular Weight346.50 g/mol
Exact Mass346.17
IUPAC Name3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylthiophen-3-yl)propan-1-ol
SMILESCOc1ccccc1N1CCN(CCC(O)c2csc(C)c2)CC1
InChIInChI=1S/C19H26N2O2S/c1-15-13-16(14-24-15)18(22)7-8-20-9-11-21(12-10-20)17-5-3-4-6-19(17)23-2/h3-6,13-14,18,22H,7-12H2,1-2H3
InChIKeyHWWBNLQPAUOLHP-UHFFFAOYSA-N
XLogP3.31
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-{5-[4-(2-Propoxy-phenyl)-piperazin-1-ylmethyl]-thiophen-3-ylmethyl}-piperidin-2-one
CID 18738385
1-{5-[4-(2-Propoxy-phenyl)-piperazin-1-ylmethyl]-thiophen-3-ylmethyl}-pyrrolidin-2-one
CID 18738386
N-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-3-thiophen-3-yl-acrylamide
CID 10905430
1-(3-Methoxyphenyl)-4-(3-thienylmethyl)piperazine
CID 782338
1-(2,5-Dimethylthiophen-3-yl)-3-(4-(2-methoxyphenyl)piperazin-1-yl)propan-1-one
CID 9822025
1-(Benzo[b]thiophene-3-yl)-3-[4-(2-methoxyphenyl)piperazino]-1-propanol
CID 9886269
1-(5-Fluoro-1-benzothiophen-3-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-ol
CID 10069586
N-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-2-thiophen-3-yl-acetamide
CID 10247900
N-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-2-thiophen-3-yl-acetamide
CID 10475338
1-(2,5-Dimethylthiophen-3-yl)-3-(4-(2-methoxyphenyl)piperazin-1-yl)propan-1-ol
CID 10570535
3-(4-(2-Methoxyphenyl)piperazin-1-yl)-1-(thiophen-3-yl)propan-1-one
CID 10616442
1-Benzo[b]thiophen-3-yl-3-[4-(4-fluoro-2-methoxy-phenyl)-piperazin-1-yl]-propan-1-ol
CID 10621014

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylthiophen-3-yl)propan-1-ol?
The IUPAC name of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylthiophen-3-yl)propan-1-ol (CID 46886853) is 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylthiophen-3-yl)propan-1-ol.
What is the SMILES notation for 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylthiophen-3-yl)propan-1-ol?
The canonical SMILES for 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylthiophen-3-yl)propan-1-ol is COc1ccccc1N1CCN(CCC(O)c2csc(C)c2)CC1.
What is the InChIKey of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylthiophen-3-yl)propan-1-ol?
The InChIKey is HWWBNLQPAUOLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2S/c1-15-13-16(14-24-15)18(22)7-8-20-9-11-21(12-10-20)17-5-3-4-6-19(17)23-2/h3-6,13-14,18,22H,7-12H2,1-2H3.
What are the key properties of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylthiophen-3-yl)propan-1-ol?
3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylthiophen-3-yl)propan-1-ol has a molecular weight of 346.50 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylthiophen-3-yl)propan-1-ol is sourced from PubChem (CID 46886853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).