1-[3-methyl-4-[(4-phenylthiophen-2-yl)methyl]piperazin-1-yl]propan-2-ol

C19H26N2OS — CID 102563995

IUPAC1-[3-methyl-4-[(4-phenylthiophen-2-yl)methyl]piperazin-1-yl]propan-2-ol
SMILESCC(O)CN1CCN(Cc2cc(-c3ccccc3)cs2)C(C)C1
InChIInChI=1S/C19H26N2OS/c1-15-11-20(12-16(2)22)8-9-21(15)13-19-10-18(14-23-19)17-6-4-3-5-7-17/h3-7,10,14-16,22H,8-9,11-13H2,1-2H3
InChIKeyPMSDPOZWLQWJKT-UHFFFAOYSA-N
MW330.50 g/mol
LogP3.30
Rot. Bonds5

About 1-[3-methyl-4-[(4-phenylthiophen-2-yl)methyl]piperazin-1-yl]propan-2-ol

1-[3-methyl-4-[(4-phenylthiophen-2-yl)methyl]piperazin-1-yl]propan-2-ol (PubChem CID 102563995) has the molecular formula C19H26N2OS and a molecular weight of 330.50 g/mol. Its IUPAC name is 1-[3-methyl-4-[(4-phenylthiophen-2-yl)methyl]piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[3-methyl-4-[(4-phenylthiophen-2-yl)methyl]piperazin-1-yl]propan-2-ol
PubChem CID102563995
Molecular FormulaC19H26N2OS
Molecular Weight330.50 g/mol
Exact Mass330.18
IUPAC Name1-[3-methyl-4-[(4-phenylthiophen-2-yl)methyl]piperazin-1-yl]propan-2-ol
SMILESCC(O)CN1CCN(Cc2cc(-c3ccccc3)cs2)C(C)C1
InChIInChI=1S/C19H26N2OS/c1-15-11-20(12-16(2)22)8-9-21(15)13-19-10-18(14-23-19)17-6-4-3-5-7-17/h3-7,10,14-16,22H,8-9,11-13H2,1-2H3
InChIKeyPMSDPOZWLQWJKT-UHFFFAOYSA-N
XLogP3.30
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.50
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[(3R)-3-methyl-4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-2-ol
CID 99802465
1-[2-methyl-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]propan-2-ol
CID 56778700
(2S)-1-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propan-2-ol
CID 124776706
(2S)-1-[(2R)-4-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-2-methylpiperazin-1-yl]propan-2-ol
CID 124778972
(2S)-1-[(2R)-4-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-2-methylpiperazin-1-yl]propan-2-ol
CID 124780336
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]propan-2-ol
CID 56802797
(2S)-1-[(4-phenylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 122038662
(2R)-1-[(2S)-2-methyl-4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
CID 95602344
(2R)-1-[(2R)-2-methyl-4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
CID 95602343
(2S)-1-[(2R)-2-methyl-4-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]propan-2-ol
CID 124730795
(2R)-1-[(2R)-2-methyl-4-[(2-phenyltriazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
CID 95602266
[(2R)-4-[(2S)-2-hydroxypropyl]-2-methylpiperazin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone
CID 100627414

Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-4-[(4-phenylthiophen-2-yl)methyl]piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-[3-methyl-4-[(4-phenylthiophen-2-yl)methyl]piperazin-1-yl]propan-2-ol (CID 102563995) is 1-[3-methyl-4-[(4-phenylthiophen-2-yl)methyl]piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-[3-methyl-4-[(4-phenylthiophen-2-yl)methyl]piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-[3-methyl-4-[(4-phenylthiophen-2-yl)methyl]piperazin-1-yl]propan-2-ol is CC(O)CN1CCN(Cc2cc(-c3ccccc3)cs2)C(C)C1.
What is the InChIKey of 1-[3-methyl-4-[(4-phenylthiophen-2-yl)methyl]piperazin-1-yl]propan-2-ol?
The InChIKey is PMSDPOZWLQWJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2OS/c1-15-11-20(12-16(2)22)8-9-21(15)13-19-10-18(14-23-19)17-6-4-3-5-7-17/h3-7,10,14-16,22H,8-9,11-13H2,1-2H3.
What are the key properties of 1-[3-methyl-4-[(4-phenylthiophen-2-yl)methyl]piperazin-1-yl]propan-2-ol?
1-[3-methyl-4-[(4-phenylthiophen-2-yl)methyl]piperazin-1-yl]propan-2-ol has a molecular weight of 330.50 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-4-[(4-phenylthiophen-2-yl)methyl]piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 102563995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).