1-(4-benzylpiperazine-1,4-diium-1-yl)-3-propan-2-yloxypropan-2-ol

C17H30N2O2+2 — CID 4745977

IUPAC1-(4-benzylpiperazine-1,4-diium-1-yl)-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)C[NH+]1CC[NH+](Cc2ccccc2)CC1
InChIInChI=1S/C17H28N2O2/c1-15(2)21-14-17(20)13-19-10-8-18(9-11-19)12-16-6-4-3-5-7-16/h3-7,15,17,20H,8-14H2,1-2H3/p+2
InChIKeyXRZBMJMYZAJPFV-UHFFFAOYSA-P
MW294.44 g/mol
LogP-1.24
Rot. Bonds7

About 1-(4-benzylpiperazine-1,4-diium-1-yl)-3-propan-2-yloxypropan-2-ol

1-(4-benzylpiperazine-1,4-diium-1-yl)-3-propan-2-yloxypropan-2-ol (PubChem CID 4745977) has the molecular formula C17H30N2O2+2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-(4-benzylpiperazine-1,4-diium-1-yl)-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-(4-benzylpiperazine-1,4-diium-1-yl)-3-propan-2-yloxypropan-2-ol
PubChem CID4745977
Molecular FormulaC17H30N2O2+2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name1-(4-benzylpiperazine-1,4-diium-1-yl)-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)C[NH+]1CC[NH+](Cc2ccccc2)CC1
InChIInChI=1S/C17H28N2O2/c1-15(2)21-14-17(20)13-19-10-8-18(9-11-19)12-16-6-4-3-5-7-16/h3-7,15,17,20H,8-14H2,1-2H3/p+2
InChIKeyXRZBMJMYZAJPFV-UHFFFAOYSA-P
XLogP-1.24
TPSA38.34 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 5-1.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(4-benzylpiperazine-1,4-diium-1-yl)-3-propan-2-yloxypropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-(4-benzylpiperazine-1,4-diium-1-yl)-3-(4-methylphenoxy)propan-2-ol
CID 8741479
1-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-3-propan-2-yloxypropan-2-ol
CID 4745966
(2R)-1-(4-benzylpiperazine-1,4-diium-1-yl)-3-(4-chlorophenoxy)propan-2-ol
CID 2247545
1-(4-benzylpiperazine-1,4-diium-1-yl)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol
CID 4751891
(2S)-1-(4-benzylpiperazine-1,4-diium-1-yl)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol
CID 6962968
(2R)-1-propan-2-yloxy-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol
CID 2135041
N-[4-[(2S)-3-(4-benzylpiperazine-1,4-diium-1-yl)-2-hydroxypropoxy]phenyl]acetamide
CID 6966060
(2R)-1-(4-benzylpiperazine-1,4-diium-1-yl)-3-[(1S,5R)-3,3,5-trimethylcyclohexyl]oxypropan-2-ol
CID 7493647
1-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-3-propan-2-yloxypropan-2-ol
CID 4744347
2-[3-(4-benzylpiperazine-1,4-diium-1-yl)-2-hydroxypropyl]isoindole-1,3-dione dichloride
CID 110173221
1-[4-[(2S)-2-hydroxy-3-[4-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]piperazine-1,4-diium-1-yl]propoxy]phenyl]ethanone
CID 7414829
5-phenyl-1-propan-2-yloxypentan-2-ol
CID 14984664

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazine-1,4-diium-1-yl)-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-(4-benzylpiperazine-1,4-diium-1-yl)-3-propan-2-yloxypropan-2-ol (CID 4745977) is 1-(4-benzylpiperazine-1,4-diium-1-yl)-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-(4-benzylpiperazine-1,4-diium-1-yl)-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-(4-benzylpiperazine-1,4-diium-1-yl)-3-propan-2-yloxypropan-2-ol is CC(C)OCC(O)C[NH+]1CC[NH+](Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperazine-1,4-diium-1-yl)-3-propan-2-yloxypropan-2-ol?
The InChIKey is XRZBMJMYZAJPFV-UHFFFAOYSA-P. The full InChI is InChI=1S/C17H28N2O2/c1-15(2)21-14-17(20)13-19-10-8-18(9-11-19)12-16-6-4-3-5-7-16/h3-7,15,17,20H,8-14H2,1-2H3/p+2.
What are the key properties of 1-(4-benzylpiperazine-1,4-diium-1-yl)-3-propan-2-yloxypropan-2-ol?
1-(4-benzylpiperazine-1,4-diium-1-yl)-3-propan-2-yloxypropan-2-ol has a molecular weight of 294.44 g/mol, XLogP of -1.24, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperazine-1,4-diium-1-yl)-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 4745977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).