2-[1-(2-methylpropyl)-4-pentylpiperazin-2-yl]ethanol

C15H32N2O — CID 56851949

IUPAC2-[1-(2-methylpropyl)-4-pentylpiperazin-2-yl]ethanol
SMILESCCCCCN1CCN(CC(C)C)C(CCO)C1
InChIInChI=1S/C15H32N2O/c1-4-5-6-8-16-9-10-17(12-14(2)3)15(13-16)7-11-18/h14-15,18H,4-13H2,1-3H3
InChIKeyNGOXMHFQOSDHGQ-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.20
Rot. Bonds8

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

2-[1-(2-methylpropyl)-4-pentylpiperazin-2-yl]ethanol (PubChem CID 56851949) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 2-[1-(2-methylpropyl)-4-pentylpiperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(2-methylpropyl)-4-pentylpiperazin-2-yl]ethanol
PubChem CID56851949
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name2-[1-(2-methylpropyl)-4-pentylpiperazin-2-yl]ethanol
SMILESCCCCCN1CCN(CC(C)C)C(CCO)C1
InChIInChI=1S/C15H32N2O/c1-4-5-6-8-16-9-10-17(12-14(2)3)15(13-16)7-11-18/h14-15,18H,4-13H2,1-3H3
InChIKeyNGOXMHFQOSDHGQ-UHFFFAOYSA-N
XLogP2.20
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(2R)-4-benzyl-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 98575530
2-[(2S)-1-(3-methylbutyl)-4-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 29208638
2-[1-(2-methylpropyl)-4-[(4-propan-2-ylphenyl)methyl]piperazin-2-yl]ethanol
CID 45238796
2-[4-[(2-methylphenyl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 45208361
2-[4-[(5-methylfuran-2-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 45231803
2-[(2R)-4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 51902897
2-[4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 45206538
2-[(3R)-3-methyl-4-(2-methylpropyl)piperazin-1-yl]ethanol
CID 166175492
2-[(2R)-1-(2-methylpropyl)-4-(3-phenylprop-2-ynyl)piperazin-2-yl]ethanol
CID 98587048
2-[(2S)-1-(2-methylpropyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]ethanol
CID 29029378
2-[1-(2-methylpropyl)pyrrolidin-2-yl]ethanol
CID 117028492
2-[4-[[4-(2-hydroxyethoxy)phenyl]methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 45238451

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylpropyl)-4-pentylpiperazin-2-yl]ethanol?
The IUPAC name of 2-[1-(2-methylpropyl)-4-pentylpiperazin-2-yl]ethanol (CID 56851949) is 2-[1-(2-methylpropyl)-4-pentylpiperazin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(2-methylpropyl)-4-pentylpiperazin-2-yl]ethanol?
The canonical SMILES for 2-[1-(2-methylpropyl)-4-pentylpiperazin-2-yl]ethanol is CCCCCN1CCN(CC(C)C)C(CCO)C1.
What is the InChIKey of 2-[1-(2-methylpropyl)-4-pentylpiperazin-2-yl]ethanol?
The InChIKey is NGOXMHFQOSDHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-4-5-6-8-16-9-10-17(12-14(2)3)15(13-16)7-11-18/h14-15,18H,4-13H2,1-3H3.
What are the key properties of 2-[1-(2-methylpropyl)-4-pentylpiperazin-2-yl]ethanol?
2-[1-(2-methylpropyl)-4-pentylpiperazin-2-yl]ethanol has a molecular weight of 256.43 g/mol, XLogP of 2.20, 8 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-pentylpiperazin-2-yl]ethanol is sourced from PubChem (CID 56851949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).