2-[1-(2-methylpropyl)-4-[(4-propan-2-ylphenyl)methyl]piperazin-2-yl]ethanol

C20H34N2O — CID 45238796

IUPAC2-[1-(2-methylpropyl)-4-[(4-propan-2-ylphenyl)methyl]piperazin-2-yl]ethanol
SMILESCC(C)CN1CCN(Cc2ccc(C(C)C)cc2)CC1CCO
InChIInChI=1S/C20H34N2O/c1-16(2)13-22-11-10-21(15-20(22)9-12-23)14-18-5-7-19(8-6-18)17(3)4/h5-8,16-17,20,23H,9-15H2,1-4H3
InChIKeyJGRXDXZLZVXNTI-UHFFFAOYSA-N
MW318.51 g/mol
LogP3.33
Rot. Bonds7

About 2-[1-(2-methylpropyl)-4-[(4-propan-2-ylphenyl)methyl]piperazin-2-yl]ethanol

2-[1-(2-methylpropyl)-4-[(4-propan-2-ylphenyl)methyl]piperazin-2-yl]ethanol (PubChem CID 45238796) has the molecular formula C20H34N2O and a molecular weight of 318.51 g/mol. Its IUPAC name is 2-[1-(2-methylpropyl)-4-[(4-propan-2-ylphenyl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(2-methylpropyl)-4-[(4-propan-2-ylphenyl)methyl]piperazin-2-yl]ethanol
PubChem CID45238796
Molecular FormulaC20H34N2O
Molecular Weight318.51 g/mol
Exact Mass318.27
IUPAC Name2-[1-(2-methylpropyl)-4-[(4-propan-2-ylphenyl)methyl]piperazin-2-yl]ethanol
SMILESCC(C)CN1CCN(Cc2ccc(C(C)C)cc2)CC1CCO
InChIInChI=1S/C20H34N2O/c1-16(2)13-22-11-10-21(15-20(22)9-12-23)14-18-5-7-19(8-6-18)17(3)4/h5-8,16-17,20,23H,9-15H2,1-4H3
InChIKeyJGRXDXZLZVXNTI-UHFFFAOYSA-N
XLogP3.33
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.51
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R)-4-benzyl-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 98575530
2-[4-[[4-(2-hydroxyethoxy)phenyl]methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 45238451
2-[(2R)-1-(2-methylpropyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-yl]ethanol
CID 98586542
2-[(2R)-1-[(4-fluorophenyl)methyl]-4-(2-methylpropyl)piperazin-2-yl]ethanol
CID 51622986
2-[4-[(2-methylphenyl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 45208361
2-[(2S)-4-[[3-(2-hydroxyethoxy)phenyl]methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 51635094
2-[4-[(5-methylfuran-2-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 45231803
2-[(2R)-1-[(3,4-difluorophenyl)methyl]-4-(2-methylpropyl)piperazin-2-yl]ethanol
CID 51622355
2-[(2R)-4-(1,3-benzodioxol-4-ylmethyl)-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 93233456
2-[(2R)-1-(2-methylpropyl)-4-[(2-prop-2-enoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 98586705
2-[(2R)-4-[[4-chloro-2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 98586777
2-[4-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 70768891

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylpropyl)-4-[(4-propan-2-ylphenyl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[1-(2-methylpropyl)-4-[(4-propan-2-ylphenyl)methyl]piperazin-2-yl]ethanol (CID 45238796) is 2-[1-(2-methylpropyl)-4-[(4-propan-2-ylphenyl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(2-methylpropyl)-4-[(4-propan-2-ylphenyl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[1-(2-methylpropyl)-4-[(4-propan-2-ylphenyl)methyl]piperazin-2-yl]ethanol is CC(C)CN1CCN(Cc2ccc(C(C)C)cc2)CC1CCO.
What is the InChIKey of 2-[1-(2-methylpropyl)-4-[(4-propan-2-ylphenyl)methyl]piperazin-2-yl]ethanol?
The InChIKey is JGRXDXZLZVXNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O/c1-16(2)13-22-11-10-21(15-20(22)9-12-23)14-18-5-7-19(8-6-18)17(3)4/h5-8,16-17,20,23H,9-15H2,1-4H3.
What are the key properties of 2-[1-(2-methylpropyl)-4-[(4-propan-2-ylphenyl)methyl]piperazin-2-yl]ethanol?
2-[1-(2-methylpropyl)-4-[(4-propan-2-ylphenyl)methyl]piperazin-2-yl]ethanol has a molecular weight of 318.51 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylpropyl)-4-[(4-propan-2-ylphenyl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 45238796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).