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

C16H26N2O — CID 62777793

IUPAC1-[4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]ethanol
SMILESCC(C)CN1CCN(c2ccc(C(C)O)cc2)CC1
InChIInChI=1S/C16H26N2O/c1-13(2)12-17-8-10-18(11-9-17)16-6-4-15(5-7-16)14(3)19/h4-7,13-14,19H,8-12H2,1-3H3
InChIKeyQGWXUEYXKBWVJD-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.52
Rot. Bonds4

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

1-[4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]ethanol (PubChem CID 62777793) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]ethanol.

Molecular Properties

Compound Name1-[4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]ethanol
PubChem CID62777793
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]ethanol
SMILESCC(C)CN1CCN(c2ccc(C(C)O)cc2)CC1
InChIInChI=1S/C16H26N2O/c1-13(2)12-17-8-10-18(11-9-17)16-6-4-15(5-7-16)14(3)19/h4-7,13-14,19H,8-12H2,1-3H3
InChIKeyQGWXUEYXKBWVJD-UHFFFAOYSA-N
XLogP2.52
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[4-[4-(4-bromophenyl)piperazin-1-yl]phenyl]ethanol
CID 137407146
(1S)-1-[4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]phenyl]ethanol
CID 107223590
(1S)-1-[3-chloro-4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]ethanol
CID 78940987
(1S)-1-(4-piperidin-1-ylphenyl)ethanol
CID 10104408
1-[4-(bromomethyl)phenyl]-4-(2-methylpropyl)piperazine
CID 107082857
(1S)-1-[3-bromo-4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]ethanol
CID 78940984
1-[4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-ol
CID 63370794
1-[4-(4-chlorophenyl)piperazin-1-yl]propan-2-ol
CID 21388286
1-[1-[4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-yl]ethanol
CID 106836524
(1S)-1-[4-(2,5-dihydropyrrol-1-yl)phenyl]ethanol
CID 130617448
(1R)-1-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]ethanol
CID 78939752
(1R)-1-[4-(1,4-oxazepan-4-yl)phenyl]ethanol
CID 78941068

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]ethanol?
The IUPAC name of 1-[4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]ethanol (CID 62777793) is 1-[4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]ethanol.
What is the SMILES notation for 1-[4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]ethanol?
The canonical SMILES for 1-[4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]ethanol is CC(C)CN1CCN(c2ccc(C(C)O)cc2)CC1.
What is the InChIKey of 1-[4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]ethanol?
The InChIKey is QGWXUEYXKBWVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13(2)12-17-8-10-18(11-9-17)16-6-4-15(5-7-16)14(3)19/h4-7,13-14,19H,8-12H2,1-3H3.
What are the key properties of 1-[4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]ethanol?
1-[4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]ethanol has a molecular weight of 262.40 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]ethanol is sourced from PubChem (CID 62777793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).