[4-(4-tert-butylpiperazin-1-yl)phenyl]methanediol

C15H24N2O2 — CID 135299363

IUPAC[4-(4-tert-butylpiperazin-1-yl)phenyl]methanediol
SMILESCC(C)(C)N1CCN(c2ccc(C(O)O)cc2)CC1
InChIInChI=1S/C15H24N2O2/c1-15(2,3)17-10-8-16(9-11-17)13-6-4-12(5-7-13)14(18)19/h4-7,14,18-19H,8-11H2,1-3H3
InChIKeyAWPICFKPEPQONK-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.59
Rot. Bonds2

About [4-(4-tert-butylpiperazin-1-yl)phenyl]methanediol

[4-(4-tert-butylpiperazin-1-yl)phenyl]methanediol (PubChem CID 135299363) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is [4-(4-tert-butylpiperazin-1-yl)phenyl]methanediol.

Molecular Properties

Compound Name[4-(4-tert-butylpiperazin-1-yl)phenyl]methanediol
PubChem CID135299363
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name[4-(4-tert-butylpiperazin-1-yl)phenyl]methanediol
SMILESCC(C)(C)N1CCN(c2ccc(C(O)O)cc2)CC1
InChIInChI=1S/C15H24N2O2/c1-15(2,3)17-10-8-16(9-11-17)13-6-4-12(5-7-13)14(18)19/h4-7,14,18-19H,8-11H2,1-3H3
InChIKeyAWPICFKPEPQONK-UHFFFAOYSA-N
XLogP1.59
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-tert-butylpiperazin-1-yl)phenyl]ethanamine
CID 61432785
1-tert-butyl-4-(4-tert-butylphenyl)piperazine
CID 59476465
1-tert-butyl-4-(4-iodophenyl)piperazine
CID 154329607
4-(4-tert-butylpiperazin-1-yl)-2-methylphenol
CID 164764153
1-[4-[4-(4-bromophenyl)piperazin-1-yl]phenyl]ethanol
CID 137407146
N-[[4-(4-tert-butylpiperazin-1-yl)phenyl]methyl]cyclopropanamine
CID 61432717
(1S)-1-[4-(4-tert-butylpiperidin-1-yl)phenyl]ethanol
CID 63371777
(1R)-1-[4-(4-tert-butylpiperidin-1-yl)phenyl]ethanol
CID 78940931
1-tert-butyl-4-(5-propan-2-yl-3-pyridinyl)piperazine
CID 58563498
N-[4-(4-tert-butylpiperazin-1-yl)phenyl]-4-hydroxybenzamide
CID 67414663
1-tert-butyl-4-(3-tert-butylphenyl)piperazine
CID 66600668
(1S)-1-(4-piperidin-1-ylphenyl)ethanol
CID 10104408

Frequently Asked Questions

What is the IUPAC name of [4-(4-tert-butylpiperazin-1-yl)phenyl]methanediol?
The IUPAC name of [4-(4-tert-butylpiperazin-1-yl)phenyl]methanediol (CID 135299363) is [4-(4-tert-butylpiperazin-1-yl)phenyl]methanediol.
What is the SMILES notation for [4-(4-tert-butylpiperazin-1-yl)phenyl]methanediol?
The canonical SMILES for [4-(4-tert-butylpiperazin-1-yl)phenyl]methanediol is CC(C)(C)N1CCN(c2ccc(C(O)O)cc2)CC1.
What is the InChIKey of [4-(4-tert-butylpiperazin-1-yl)phenyl]methanediol?
The InChIKey is AWPICFKPEPQONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-15(2,3)17-10-8-16(9-11-17)13-6-4-12(5-7-13)14(18)19/h4-7,14,18-19H,8-11H2,1-3H3.
What are the key properties of [4-(4-tert-butylpiperazin-1-yl)phenyl]methanediol?
[4-(4-tert-butylpiperazin-1-yl)phenyl]methanediol has a molecular weight of 264.37 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-tert-butylpiperazin-1-yl)phenyl]methanediol is sourced from PubChem (CID 135299363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).