2-[4-[4-(2-methylpropoxy)phenyl]piperazin-1-yl]ethanol

C16H26N2O2 — CID 82346708

IUPAC2-[4-[4-(2-methylpropoxy)phenyl]piperazin-1-yl]ethanol
SMILESCC(C)COc1ccc(N2CCN(CCO)CC2)cc1
InChIInChI=1S/C16H26N2O2/c1-14(2)13-20-16-5-3-15(4-6-16)18-9-7-17(8-10-18)11-12-19/h3-6,14,19H,7-13H2,1-2H3
InChIKeyJEKAPEAOWSPZKC-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.84
Rot. Bonds6

About 2-[4-[4-(2-methylpropoxy)phenyl]piperazin-1-yl]ethanol

2-[4-[4-(2-methylpropoxy)phenyl]piperazin-1-yl]ethanol (PubChem CID 82346708) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[4-[4-(2-methylpropoxy)phenyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[4-(2-methylpropoxy)phenyl]piperazin-1-yl]ethanol
PubChem CID82346708
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[4-[4-(2-methylpropoxy)phenyl]piperazin-1-yl]ethanol
SMILESCC(C)COc1ccc(N2CCN(CCO)CC2)cc1
InChIInChI=1S/C16H26N2O2/c1-14(2)13-20-16-5-3-15(4-6-16)18-9-7-17(8-10-18)11-12-19/h3-6,14,19H,7-13H2,1-2H3
InChIKeyJEKAPEAOWSPZKC-UHFFFAOYSA-N
XLogP1.84
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[4-[4-[(4-fluorophenyl)methoxy]phenyl]piperazin-1-yl]ethanol
CID 10268423
1-[4-(4-methylpiperazin-1-yl)phenyl]-3-[4-(2-methylpropoxy)phenyl]thiourea
CID 163203512
3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2-methoxyethyl)-4-[4-(2-methylpropoxy)phenyl]pyrrole-2,5-dione
CID 110551320
2-[4-(4-bromophenyl)piperazin-1-yl]ethanol
CID 82124353
(1S)-1-[4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]phenyl]ethanol
CID 107223590
1-hexyl-3-[4-(2-hydroxyethyl)piperazin-1-yl]-4-[4-(2-methylpropoxy)phenyl]pyrrole-2,5-dione
CID 110551522
1-(4-chlorophenoxy)-4-[4-(4-chlorophenyl)piperazin-1-yl]butan-2-ol
CID 14422864
(2S)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-2-ol
CID 29124618
1-(4-chlorophenoxy)-4-[4-(4-chlorophenyl)piperazin-1-yl]butan-2-ol;dihydrochloride
CID 14422865
1-(4-chlorophenoxy)-4-[4-(4-methoxyphenyl)piperazin-1-yl]butan-2-ol;dihydrochloride
CID 14422870
4-[4-[2-(2-methylpropoxy)ethyl]piperazin-1-yl]aniline
CID 106453577
2-[4-[4-[1-(methylamino)ethyl]phenyl]-1,4-diazepan-1-yl]ethanol
CID 107223405

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(2-methylpropoxy)phenyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[4-(2-methylpropoxy)phenyl]piperazin-1-yl]ethanol (CID 82346708) is 2-[4-[4-(2-methylpropoxy)phenyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[4-(2-methylpropoxy)phenyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[4-(2-methylpropoxy)phenyl]piperazin-1-yl]ethanol is CC(C)COc1ccc(N2CCN(CCO)CC2)cc1.
What is the InChIKey of 2-[4-[4-(2-methylpropoxy)phenyl]piperazin-1-yl]ethanol?
The InChIKey is JEKAPEAOWSPZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-14(2)13-20-16-5-3-15(4-6-16)18-9-7-17(8-10-18)11-12-19/h3-6,14,19H,7-13H2,1-2H3.
What are the key properties of 2-[4-[4-(2-methylpropoxy)phenyl]piperazin-1-yl]ethanol?
2-[4-[4-(2-methylpropoxy)phenyl]piperazin-1-yl]ethanol has a molecular weight of 278.40 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(2-methylpropoxy)phenyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 82346708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).