2-[4-(2-hydroxybutyl)piperazin-1-yl]phenol

C14H22N2O2 — CID 111105846

IUPAC2-[4-(2-hydroxybutyl)piperazin-1-yl]phenol
SMILESCCC(O)CN1CCN(c2ccccc2O)CC1
InChIInChI=1S/C14H22N2O2/c1-2-12(17)11-15-7-9-16(10-8-15)13-5-3-4-6-14(13)18/h3-6,12,17-18H,2,7-11H2,1H3
InChIKeyRRYATQIJICGHPS-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.29
Rot. Bonds4

About 2-[4-(2-hydroxybutyl)piperazin-1-yl]phenol

2-[4-(2-hydroxybutyl)piperazin-1-yl]phenol (PubChem CID 111105846) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[4-(2-hydroxybutyl)piperazin-1-yl]phenol.

Molecular Properties

Compound Name2-[4-(2-hydroxybutyl)piperazin-1-yl]phenol
PubChem CID111105846
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-[4-(2-hydroxybutyl)piperazin-1-yl]phenol
SMILESCCC(O)CN1CCN(c2ccccc2O)CC1
InChIInChI=1S/C14H22N2O2/c1-2-12(17)11-15-7-9-16(10-8-15)13-5-3-4-6-14(13)18/h3-6,12,17-18H,2,7-11H2,1H3
InChIKeyRRYATQIJICGHPS-UHFFFAOYSA-N
XLogP1.29
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(2S)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]piperazin-1-yl]phenol
CID 29404375
2-[4-[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]phenol
CID 27732487
1-[2-hydroxy-3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one;dihydrochloride
CID 23584725
1-(4-benzylpiperazin-1-yl)butan-2-ol
CID 60885718
4-[1-hydroxy-2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethyl]benzene-1,2-diol
CID 176946490
1-(4-benzhydrylpiperazin-1-yl)butan-2-ol
CID 20795195
(2R)-1-chloro-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 1476125
1-amino-3-[4-(2-methylphenyl)piperazin-1-yl]propan-2-ol
CID 82297180
(2S)-1-chloro-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 1476124
2-[4-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperazin-1-yl]phenol
CID 122157490
(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 93355134
(1R)-1-[2-[4-(2-methylpropyl)piperazin-1-yl]phenyl]propan-1-ol
CID 103960079

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxybutyl)piperazin-1-yl]phenol?
The IUPAC name of 2-[4-(2-hydroxybutyl)piperazin-1-yl]phenol (CID 111105846) is 2-[4-(2-hydroxybutyl)piperazin-1-yl]phenol.
What is the SMILES notation for 2-[4-(2-hydroxybutyl)piperazin-1-yl]phenol?
The canonical SMILES for 2-[4-(2-hydroxybutyl)piperazin-1-yl]phenol is CCC(O)CN1CCN(c2ccccc2O)CC1.
What is the InChIKey of 2-[4-(2-hydroxybutyl)piperazin-1-yl]phenol?
The InChIKey is RRYATQIJICGHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-2-12(17)11-15-7-9-16(10-8-15)13-5-3-4-6-14(13)18/h3-6,12,17-18H,2,7-11H2,1H3.
What are the key properties of 2-[4-(2-hydroxybutyl)piperazin-1-yl]phenol?
2-[4-(2-hydroxybutyl)piperazin-1-yl]phenol has a molecular weight of 250.34 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxybutyl)piperazin-1-yl]phenol is sourced from PubChem (CID 111105846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).