2-[(2R)-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol

C19H36N4O — CID 51901627

IUPAC2-[(2R)-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
SMILESCc1nn(C(C)C)c(C)c1CN1CCN(CC(C)C)[C@H](CCO)C1
InChIInChI=1S/C19H36N4O/c1-14(2)11-22-9-8-21(12-18(22)7-10-24)13-19-16(5)20-23(15(3)4)17(19)6/h14-15,18,24H,7-13H2,1-6H3/t18-/m1/s1
InChIKeyMJVNDVXZNNRLMJ-GOSISDBHSA-N
MW336.52 g/mol
LogP2.61
Rot. Bonds7

About 2-[(2R)-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol

2-[(2R)-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol (PubChem CID 51901627) has the molecular formula C19H36N4O and a molecular weight of 336.52 g/mol. Its IUPAC name is 2-[(2R)-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2R)-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
PubChem CID51901627
Molecular FormulaC19H36N4O
Molecular Weight336.52 g/mol
Exact Mass336.29
IUPAC Name2-[(2R)-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
SMILESCc1nn(C(C)C)c(C)c1CN1CCN(CC(C)C)[C@H](CCO)C1
InChIInChI=1S/C19H36N4O/c1-14(2)11-22-9-8-21(12-18(22)7-10-24)13-19-16(5)20-23(15(3)4)17(19)6/h14-15,18,24H,7-13H2,1-6H3/t18-/m1/s1
InChIKeyMJVNDVXZNNRLMJ-GOSISDBHSA-N
XLogP2.61
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.52
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(2-methylphenyl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 45208361
2-[(2R)-4-benzyl-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 98575530
2-[4-[(5-methylfuran-2-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 45231803
2-[1-(2-methylpropyl)-4-[(4-propan-2-ylphenyl)methyl]piperazin-2-yl]ethanol
CID 45238796
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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-[(2R)-4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 51905360
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CID 93233456
2-[1-(2-methylpropyl)-4-pentylpiperazin-2-yl]ethanol
CID 56851949
2-[4-[[4-(2-hydroxyethoxy)phenyl]methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 45238451
2-[(2R)-4-[[4-chloro-2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 98586777
2-[(2R)-1-(2-methylpropyl)-4-[(2-prop-2-enoxyphenyl)methyl]piperazin-2-yl]ethanol
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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2R)-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol (CID 51901627) is 2-[(2R)-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2R)-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2R)-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol is Cc1nn(C(C)C)c(C)c1CN1CCN(CC(C)C)[C@H](CCO)C1.
What is the InChIKey of 2-[(2R)-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol?
The InChIKey is MJVNDVXZNNRLMJ-GOSISDBHSA-N. The full InChI is InChI=1S/C19H36N4O/c1-14(2)11-22-9-8-21(12-18(22)7-10-24)13-19-16(5)20-23(15(3)4)17(19)6/h14-15,18,24H,7-13H2,1-6H3/t18-/m1/s1.
What are the key properties of 2-[(2R)-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol?
2-[(2R)-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol has a molecular weight of 336.52 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 51901627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).