2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-4-thiophen-3-ylmorpholine

C17H27N3OS — CID 141193511

IUPAC2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-4-thiophen-3-ylmorpholine
SMILESc1cc(N2CCOC(CN3CCN(CC4CC4)CC3)C2)cs1
InChIInChI=1S/C17H27N3OS/c1-2-15(1)11-18-4-6-19(7-5-18)12-17-13-20(8-9-21-17)16-3-10-22-14-16/h3,10,14-15,17H,1-2,4-9,11-13H2
InChIKeyBZBJLQMHRRITSM-UHFFFAOYSA-N
MW321.49 g/mol
LogP1.98
Rot. Bonds5

About 2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-4-thiophen-3-ylmorpholine

2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-4-thiophen-3-ylmorpholine (PubChem CID 141193511) has the molecular formula C17H27N3OS and a molecular weight of 321.49 g/mol. Its IUPAC name is 2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-4-thiophen-3-ylmorpholine.

Molecular Properties

Compound Name2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-4-thiophen-3-ylmorpholine
PubChem CID141193511
Molecular FormulaC17H27N3OS
Molecular Weight321.49 g/mol
Exact Mass321.19
IUPAC Name2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-4-thiophen-3-ylmorpholine
SMILESc1cc(N2CCOC(CN3CCN(CC4CC4)CC3)C2)cs1
InChIInChI=1S/C17H27N3OS/c1-2-15(1)11-18-4-6-19(7-5-18)12-17-13-20(8-9-21-17)16-3-10-22-14-16/h3,10,14-15,17H,1-2,4-9,11-13H2
InChIKeyBZBJLQMHRRITSM-UHFFFAOYSA-N
XLogP1.98
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.49
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-4-thiophen-3-ylmorpholine?
The IUPAC name of 2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-4-thiophen-3-ylmorpholine (CID 141193511) is 2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-4-thiophen-3-ylmorpholine.
What is the SMILES notation for 2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-4-thiophen-3-ylmorpholine?
The canonical SMILES for 2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-4-thiophen-3-ylmorpholine is c1cc(N2CCOC(CN3CCN(CC4CC4)CC3)C2)cs1.
What is the InChIKey of 2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-4-thiophen-3-ylmorpholine?
The InChIKey is BZBJLQMHRRITSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3OS/c1-2-15(1)11-18-4-6-19(7-5-18)12-17-13-20(8-9-21-17)16-3-10-22-14-16/h3,10,14-15,17H,1-2,4-9,11-13H2.
What are the key properties of 2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-4-thiophen-3-ylmorpholine?
2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-4-thiophen-3-ylmorpholine has a molecular weight of 321.49 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-4-thiophen-3-ylmorpholine is sourced from PubChem (CID 141193511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).