(2R)-1-[(3R)-3-methyl-4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-2-ol

C13H22N2OS — CID 99802465

IUPAC(2R)-1-[(3R)-3-methyl-4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-2-ol
SMILESC[C@@H]1CN(C[C@@H](C)O)CCN1Cc1cccs1
InChIInChI=1S/C13H22N2OS/c1-11-8-14(9-12(2)16)5-6-15(11)10-13-4-3-7-17-13/h3-4,7,11-12,16H,5-6,8-10H2,1-2H3/t11-,12-/m1/s1
InChIKeyJZGBVOSLDZUXOF-VXGBXAGGSA-N
MW254.40 g/mol
LogP1.63
Rot. Bonds4

About (2R)-1-[(3R)-3-methyl-4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-2-ol

(2R)-1-[(3R)-3-methyl-4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-2-ol (PubChem CID 99802465) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is (2R)-1-[(3R)-3-methyl-4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(3R)-3-methyl-4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-2-ol
PubChem CID99802465
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name(2R)-1-[(3R)-3-methyl-4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-2-ol
SMILESC[C@@H]1CN(C[C@@H](C)O)CCN1Cc1cccs1
InChIInChI=1S/C13H22N2OS/c1-11-8-14(9-12(2)16)5-6-15(11)10-13-4-3-7-17-13/h3-4,7,11-12,16H,5-6,8-10H2,1-2H3/t11-,12-/m1/s1
InChIKeyJZGBVOSLDZUXOF-VXGBXAGGSA-N
XLogP1.63
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-1-[(3R)-3-methyl-4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-2-ol with MolForge

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Related Compounds

1-[3-methyl-4-[(4-phenylthiophen-2-yl)methyl]piperazin-1-yl]propan-2-ol
CID 102563995
methyl 3-[(3R)-3-methyl-4-(thiophen-2-ylmethyl)piperazin-1-yl]propanoate
CID 129374038
(2S)-1-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propan-2-ol
CID 124776706
(3R,8aR)-3-methyl-2-(thiophen-2-ylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 95792153
1-[4-(2-hydroxypropyl)piperazin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 56802833
(2R)-1-[4-[(2-thiophen-2-ylethylamino)methyl]piperidin-1-yl]propan-2-ol
CID 95299755
1-[2-methyl-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]propan-2-ol
CID 56778700
(2S)-1-[(2R)-4-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-2-methylpiperazin-1-yl]propan-2-ol
CID 124780336
(2S)-1-[(2R)-4-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-2-methylpiperazin-1-yl]propan-2-ol
CID 124778972
(2S)-1-(furan-2-ylmethoxy)-3-[(3S)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propan-2-ol
CID 124778946
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]propan-2-ol
CID 56802797
5-[[2-methyl-4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 55627333

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(3R)-3-methyl-4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-[(3R)-3-methyl-4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-2-ol (CID 99802465) is (2R)-1-[(3R)-3-methyl-4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-[(3R)-3-methyl-4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-[(3R)-3-methyl-4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-2-ol is C[C@@H]1CN(C[C@@H](C)O)CCN1Cc1cccs1.
What is the InChIKey of (2R)-1-[(3R)-3-methyl-4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-2-ol?
The InChIKey is JZGBVOSLDZUXOF-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-11-8-14(9-12(2)16)5-6-15(11)10-13-4-3-7-17-13/h3-4,7,11-12,16H,5-6,8-10H2,1-2H3/t11-,12-/m1/s1.
What are the key properties of (2R)-1-[(3R)-3-methyl-4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-2-ol?
(2R)-1-[(3R)-3-methyl-4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-2-ol has a molecular weight of 254.40 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(3R)-3-methyl-4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 99802465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).