(2R)-2-(4-tert-butylphenyl)-2-piperazin-1-ylethanol;hydrochloride

C16H27ClN2O — CID 171183399

IUPAC(2R)-2-(4-tert-butylphenyl)-2-piperazin-1-ylethanol;hydrochloride
SMILESCC(C)(C)c1ccc([C@H](CO)N2CCNCC2)cc1.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-16(2,3)14-6-4-13(5-7-14)15(12-19)18-10-8-17-9-11-18;/h4-7,15,17,19H,8-12H2,1-3H3;1H/t15-;/m0./s1
InChIKeyGYUICAJUQJDWJH-RSAXXLAASA-N
MW298.86 g/mol
LogP2.34
Rot. Bonds3

About (2R)-2-(4-tert-butylphenyl)-2-piperazin-1-ylethanol;hydrochloride

(2R)-2-(4-tert-butylphenyl)-2-piperazin-1-ylethanol;hydrochloride (PubChem CID 171183399) has the molecular formula C16H27ClN2O and a molecular weight of 298.86 g/mol. Its IUPAC name is (2R)-2-(4-tert-butylphenyl)-2-piperazin-1-ylethanol;hydrochloride.

Molecular Properties

Compound Name(2R)-2-(4-tert-butylphenyl)-2-piperazin-1-ylethanol;hydrochloride
PubChem CID171183399
Molecular FormulaC16H27ClN2O
Molecular Weight298.86 g/mol
Exact Mass298.18
IUPAC Name(2R)-2-(4-tert-butylphenyl)-2-piperazin-1-ylethanol;hydrochloride
SMILESCC(C)(C)c1ccc([C@H](CO)N2CCNCC2)cc1.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-16(2,3)14-6-4-13(5-7-14)15(12-19)18-10-8-17-9-11-18;/h4-7,15,17,19H,8-12H2,1-3H3;1H/t15-;/m0./s1
InChIKeyGYUICAJUQJDWJH-RSAXXLAASA-N
XLogP2.34
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-1-(4-tert-butylphenyl)-2-fluoroethyl]piperazine;hydrochloride
CID 171182372
2-(4-tert-butylphenyl)-2-pyrrolidin-1-ylethanol
CID 82086606
1-[(1S)-1-(4-tert-butylphenyl)-3-methylbutyl]piperazine;dihydrochloride
CID 171275303
(2R)-2-piperazin-1-yl-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanol;hydrochloride
CID 171174833
(2R)-2-(4-methylphenyl)-2-piperazin-1-ylethanol
CID 93470965
1-[(1S)-1-(4-tert-butylphenyl)pentyl]piperazine;dihydrochloride
CID 171308868
2-(4-fluorophenyl)-2-piperazin-1-ylethanol
CID 11972041
(2S)-2-phenyl-2-piperazin-1-ylethanol;hydrochloride
CID 171183201
(2R)-2-(4-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183352
1-[(1R)-1-(4-tert-butylphenyl)-3,3,3-trifluoropropyl]piperazine
CID 171169001
2-(4-tert-butylphenyl)-2-(3-methylpiperazin-1-yl)ethanol
CID 83978628
1-[(1S)-1-(4-tert-butylphenyl)-2-cyclopropylethyl]piperazine
CID 171275301

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-tert-butylphenyl)-2-piperazin-1-ylethanol;hydrochloride?
The IUPAC name of (2R)-2-(4-tert-butylphenyl)-2-piperazin-1-ylethanol;hydrochloride (CID 171183399) is (2R)-2-(4-tert-butylphenyl)-2-piperazin-1-ylethanol;hydrochloride.
What is the SMILES notation for (2R)-2-(4-tert-butylphenyl)-2-piperazin-1-ylethanol;hydrochloride?
The canonical SMILES for (2R)-2-(4-tert-butylphenyl)-2-piperazin-1-ylethanol;hydrochloride is CC(C)(C)c1ccc([C@H](CO)N2CCNCC2)cc1.Cl.
What is the InChIKey of (2R)-2-(4-tert-butylphenyl)-2-piperazin-1-ylethanol;hydrochloride?
The InChIKey is GYUICAJUQJDWJH-RSAXXLAASA-N. The full InChI is InChI=1S/C16H26N2O.ClH/c1-16(2,3)14-6-4-13(5-7-14)15(12-19)18-10-8-17-9-11-18;/h4-7,15,17,19H,8-12H2,1-3H3;1H/t15-;/m0./s1.
What are the key properties of (2R)-2-(4-tert-butylphenyl)-2-piperazin-1-ylethanol;hydrochloride?
(2R)-2-(4-tert-butylphenyl)-2-piperazin-1-ylethanol;hydrochloride has a molecular weight of 298.86 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-tert-butylphenyl)-2-piperazin-1-ylethanol;hydrochloride is sourced from PubChem (CID 171183399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).