2-[4-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperazin-1-yl]phenol

C20H34N4O — CID 122157490

IUPAC2-[4-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperazin-1-yl]phenol
SMILESCC(C)N1CCN(CCCN2CCN(c3ccccc3O)CC2)CC1
InChIInChI=1S/C20H34N4O/c1-18(2)23-14-10-21(11-15-23)8-5-9-22-12-16-24(17-13-22)19-6-3-4-7-20(19)25/h3-4,6-7,18,25H,5,8-17H2,1-2H3
InChIKeyXHUDKLCGWWLOPP-UHFFFAOYSA-N
MW346.52 g/mol
LogP1.93
Rot. Bonds6

About 2-[4-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperazin-1-yl]phenol

2-[4-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperazin-1-yl]phenol (PubChem CID 122157490) has the molecular formula C20H34N4O and a molecular weight of 346.52 g/mol. Its IUPAC name is 2-[4-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperazin-1-yl]phenol.

Molecular Properties

Compound Name2-[4-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperazin-1-yl]phenol
PubChem CID122157490
Molecular FormulaC20H34N4O
Molecular Weight346.52 g/mol
Exact Mass346.27
IUPAC Name2-[4-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperazin-1-yl]phenol
SMILESCC(C)N1CCN(CCCN2CCN(c3ccccc3O)CC2)CC1
InChIInChI=1S/C20H34N4O/c1-18(2)23-14-10-21(11-15-23)8-5-9-22-12-16-24(17-13-22)19-6-3-4-7-20(19)25/h3-4,6-7,18,25H,5,8-17H2,1-2H3
InChIKeyXHUDKLCGWWLOPP-UHFFFAOYSA-N
XLogP1.93
TPSA33.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-hydroxybutyl)piperazin-1-yl]phenol
CID 111105846
2-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 11710431
(2R)-1-(4-ethylpiperazin-1-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 8528679
3-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]-5-methyl-1H-pyrimidine-2,4-dione
CID 71034112
2-[2-(4-propan-2-ylpiperazin-1-yl)phenyl]ethanol
CID 117374519
2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]phenol
CID 27156309
1-methyl-4-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperazine
CID 170586361
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-[4-(1-phenylethyl)piperazin-1-yl]ethanone
CID 45353115
2-(4-but-2-enylpiperazin-1-yl)phenol
CID 71900763
2-[4-(2-propan-2-ylphenyl)piperazin-1-yl]ethanol
CID 117028316
2-[4-[(1S)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]phenol
CID 8528818
methyl 1-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]indole-3-carboxylate
CID 69444934

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperazin-1-yl]phenol?
The IUPAC name of 2-[4-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperazin-1-yl]phenol (CID 122157490) is 2-[4-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperazin-1-yl]phenol.
What is the SMILES notation for 2-[4-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperazin-1-yl]phenol?
The canonical SMILES for 2-[4-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperazin-1-yl]phenol is CC(C)N1CCN(CCCN2CCN(c3ccccc3O)CC2)CC1.
What is the InChIKey of 2-[4-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperazin-1-yl]phenol?
The InChIKey is XHUDKLCGWWLOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O/c1-18(2)23-14-10-21(11-15-23)8-5-9-22-12-16-24(17-13-22)19-6-3-4-7-20(19)25/h3-4,6-7,18,25H,5,8-17H2,1-2H3.
What are the key properties of 2-[4-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperazin-1-yl]phenol?
2-[4-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperazin-1-yl]phenol has a molecular weight of 346.52 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperazin-1-yl]phenol is sourced from PubChem (CID 122157490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).