1-(4-cyclopropylpiperazin-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol

C15H24N2O2S — CID 110908448

IUPAC1-(4-cyclopropylpiperazin-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESOC(COCc1cccs1)CN1CCN(C2CC2)CC1
InChIInChI=1S/C15H24N2O2S/c18-14(11-19-12-15-2-1-9-20-15)10-16-5-7-17(8-6-16)13-3-4-13/h1-2,9,13-14,18H,3-8,10-12H2
InChIKeyIGZZLMUPJQDIAO-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.41
Rot. Bonds7

About 1-(4-cyclopropylpiperazin-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol

1-(4-cyclopropylpiperazin-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol (PubChem CID 110908448) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 1-(4-cyclopropylpiperazin-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(4-cyclopropylpiperazin-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
PubChem CID110908448
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name1-(4-cyclopropylpiperazin-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESOC(COCc1cccs1)CN1CCN(C2CC2)CC1
InChIInChI=1S/C15H24N2O2S/c18-14(11-19-12-15-2-1-9-20-15)10-16-5-7-17(8-6-16)13-3-4-13/h1-2,9,13-14,18H,3-8,10-12H2
InChIKeyIGZZLMUPJQDIAO-UHFFFAOYSA-N
XLogP1.41
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(2-hydroxypropyl)piperazin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 56802833
(2S)-1-(azepan-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 2381133
(2R)-1-morpholin-4-yl-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 2359827
1-(4-methoxypiperidin-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 110882492
4-[4-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperazin-1-yl]phenol
CID 110877541
1-[1-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperidin-4-yl]imidazolidin-2-one
CID 95329642
1-[4-[3-(diethylamino)propyl]piperidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 75453728
1-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 75420766
(2R)-1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 96500595
1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 111107422
furan-2-yl-[4-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperazin-1-yl]methanone
CID 2359522
3-[1-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 126772981

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropylpiperazin-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol?
The IUPAC name of 1-(4-cyclopropylpiperazin-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol (CID 110908448) is 1-(4-cyclopropylpiperazin-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-(4-cyclopropylpiperazin-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-(4-cyclopropylpiperazin-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol is OC(COCc1cccs1)CN1CCN(C2CC2)CC1.
What is the InChIKey of 1-(4-cyclopropylpiperazin-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol?
The InChIKey is IGZZLMUPJQDIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c18-14(11-19-12-15-2-1-9-20-15)10-16-5-7-17(8-6-16)13-3-4-13/h1-2,9,13-14,18H,3-8,10-12H2.
What are the key properties of 1-(4-cyclopropylpiperazin-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol?
1-(4-cyclopropylpiperazin-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol has a molecular weight of 296.44 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropylpiperazin-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 110908448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).