3-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]pyrrolidin-3-ol

C17H27N3O — CID 70711954

IUPAC3-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]pyrrolidin-3-ol
SMILESCc1ccc(C)c(N2CCN(CC3(O)CCNC3)CC2)c1
InChIInChI=1S/C17H27N3O/c1-14-3-4-15(2)16(11-14)20-9-7-19(8-10-20)13-17(21)5-6-18-12-17/h3-4,11,18,21H,5-10,12-13H2,1-2H3
InChIKeyUYZJQWNRTXBEQF-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.15
Rot. Bonds3

About 3-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]pyrrolidin-3-ol

3-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]pyrrolidin-3-ol (PubChem CID 70711954) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]pyrrolidin-3-ol
PubChem CID70711954
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name3-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]pyrrolidin-3-ol
SMILESCc1ccc(C)c(N2CCN(CC3(O)CCNC3)CC2)c1
InChIInChI=1S/C17H27N3O/c1-14-3-4-15(2)16(11-14)20-9-7-19(8-10-20)13-17(21)5-6-18-12-17/h3-4,11,18,21H,5-10,12-13H2,1-2H3
InChIKeyUYZJQWNRTXBEQF-UHFFFAOYSA-N
XLogP1.15
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]pyrrolidin-3-ol?
The IUPAC name of 3-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]pyrrolidin-3-ol (CID 70711954) is 3-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 3-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]pyrrolidin-3-ol?
The canonical SMILES for 3-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]pyrrolidin-3-ol is Cc1ccc(C)c(N2CCN(CC3(O)CCNC3)CC2)c1.
What is the InChIKey of 3-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]pyrrolidin-3-ol?
The InChIKey is UYZJQWNRTXBEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-14-3-4-15(2)16(11-14)20-9-7-19(8-10-20)13-17(21)5-6-18-12-17/h3-4,11,18,21H,5-10,12-13H2,1-2H3.
What are the key properties of 3-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]pyrrolidin-3-ol?
3-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]pyrrolidin-3-ol has a molecular weight of 289.42 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 70711954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).