[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone

C15H28N2O3 — CID 95325634

IUPAC[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone
SMILESCC(C)(C)[C@@H](O)CN1CCN(C(=O)[C@@H]2CCOC2)CC1
InChIInChI=1S/C15H28N2O3/c1-15(2,3)13(18)10-16-5-7-17(8-6-16)14(19)12-4-9-20-11-12/h12-13,18H,4-11H2,1-3H3/t12-,13+/m1/s1
InChIKeyHPZXEUFHBWKESC-OLZOCXBDSA-N
MW284.40 g/mol
LogP0.57
Rot. Bonds3

About [4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone

[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone (PubChem CID 95325634) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is [4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone.

Molecular Properties

Compound Name[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone
PubChem CID95325634
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone
SMILESCC(C)(C)[C@@H](O)CN1CCN(C(=O)[C@@H]2CCOC2)CC1
InChIInChI=1S/C15H28N2O3/c1-15(2,3)13(18)10-16-5-7-17(8-6-16)14(19)12-4-9-20-11-12/h12-13,18H,4-11H2,1-3H3/t12-,13+/m1/s1
InChIKeyHPZXEUFHBWKESC-OLZOCXBDSA-N
XLogP0.57
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone with MolForge

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Related Compounds

3-Ethoxy-1-[4-(2-hydroxy-3,3-dimethylbutyl)piperazin-1-yl]propan-1-one
CID 53619020
[4-(2-Hydroxypropyl)piperazin-1-yl]-(oxolan-3-yl)methanone
CID 72142508
[(2R)-2-methylmorpholin-4-yl]-[(3S)-3-methyloxolan-3-yl]methanone
CID 90213318
(4-Hydroxyoxolan-3-yl)-(4-methylpiperazin-1-yl)methanone
CID 170181626
(3-Methyloxolan-3-yl)-(4-methylpiperazin-1-yl)methanone
CID 170181641
[4-(2-Hydroxy-3,3-dimethylbutyl)piperazin-1-yl]-(oxolan-3-yl)methanone
CID 53603391
1-[4-(2-Hydroxy-3,3-dimethylbutyl)piperazin-1-yl]-3-methoxy-2-methylpropan-1-one
CID 53603491
1-[4-(2-Hydroxy-3,3-dimethylbutyl)piperazin-1-yl]-3-methoxybutan-1-one
CID 53603979
1-[4-(2-Hydroxy-3,3-dimethylbutyl)piperazin-1-yl]-4-methoxybutan-1-one
CID 53605520
[4-(3-Ethoxy-2-hydroxypropyl)piperazin-1-yl]-(oxolan-3-yl)methanone
CID 53609264
(4-(2-Hydroxy-2-methylpropyl)piperazin-1-yl)(tetrahydrofuran-3-yl)methanone
CID 53609902
[4-(2-Hydroxybutyl)piperazin-1-yl]-(oxolan-3-yl)methanone
CID 53618048

Frequently Asked Questions

What is the IUPAC name of [4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone?
The IUPAC name of [4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone (CID 95325634) is [4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone.
What is the SMILES notation for [4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone?
The canonical SMILES for [4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone is CC(C)(C)[C@@H](O)CN1CCN(C(=O)[C@@H]2CCOC2)CC1.
What is the InChIKey of [4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone?
The InChIKey is HPZXEUFHBWKESC-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-15(2,3)13(18)10-16-5-7-17(8-6-16)14(19)12-4-9-20-11-12/h12-13,18H,4-11H2,1-3H3/t12-,13+/m1/s1.
What are the key properties of [4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone?
[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone has a molecular weight of 284.40 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone is sourced from PubChem (CID 95325634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).