(2R)-3,3-dimethyl-1-[4-[[(2R)-oxan-2-yl]methyl]piperazin-1-yl]butan-2-ol

C16H32N2O2 — CID 95309204

IUPAC(2R)-3,3-dimethyl-1-[4-[[(2R)-oxan-2-yl]methyl]piperazin-1-yl]butan-2-ol
SMILESCC(C)(C)[C@@H](O)CN1CCN(C[C@H]2CCCCO2)CC1
InChIInChI=1S/C16H32N2O2/c1-16(2,3)15(19)13-18-9-7-17(8-10-18)12-14-6-4-5-11-20-14/h14-15,19H,4-13H2,1-3H3/t14-,15+/m1/s1
InChIKeyBIODCRRLDDXYSK-CABCVRRESA-N
MW284.44 g/mol
LogP1.58
Rot. Bonds4

About (2R)-3,3-dimethyl-1-[4-[[(2R)-oxan-2-yl]methyl]piperazin-1-yl]butan-2-ol

(2R)-3,3-dimethyl-1-[4-[[(2R)-oxan-2-yl]methyl]piperazin-1-yl]butan-2-ol (PubChem CID 95309204) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is (2R)-3,3-dimethyl-1-[4-[[(2R)-oxan-2-yl]methyl]piperazin-1-yl]butan-2-ol.

Molecular Properties

Compound Name(2R)-3,3-dimethyl-1-[4-[[(2R)-oxan-2-yl]methyl]piperazin-1-yl]butan-2-ol
PubChem CID95309204
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name(2R)-3,3-dimethyl-1-[4-[[(2R)-oxan-2-yl]methyl]piperazin-1-yl]butan-2-ol
SMILESCC(C)(C)[C@@H](O)CN1CCN(C[C@H]2CCCCO2)CC1
InChIInChI=1S/C16H32N2O2/c1-16(2,3)15(19)13-18-9-7-17(8-10-18)12-14-6-4-5-11-20-14/h14-15,19H,4-13H2,1-3H3/t14-,15+/m1/s1
InChIKeyBIODCRRLDDXYSK-CABCVRRESA-N
XLogP1.58
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-3,3-dimethyl-1-[4-[[(2R)-oxan-2-yl]methyl]piperazin-1-yl]butan-2-ol with MolForge

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Related Compounds

(2S)-1-[4-[(2S)-2-hydroxy-3-[[(2R)-oxolan-2-yl]methoxy]propyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 124823947
(2S)-1-[(2R)-2-methyl-4-[[(2S)-oxan-2-yl]methyl]piperazin-1-yl]propan-2-ol
CID 124780455
2-[4-(oxan-2-ylmethyl)piperazin-1-yl]pentanenitrile
CID 63339441
1-(2-methoxyethyl)-4-[[(2S)-oxan-2-yl]methyl]piperazine
CID 94532596
1-(2-methoxyethyl)-4-[[(2R)-oxan-2-yl]methyl]piperazine
CID 94532597
2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanoic acid
CID 55091476
(1S)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-1-phenylethanol
CID 94767855
1-(oxan-2-ylmethyl)piperazine
CID 14981447
1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
CID 23402911
(2R)-2-amino-3,3-dimethyl-1-[4-(oxolan-2-ylmethyl)-1,4-diazepan-1-yl]butan-1-one
CID 103929357
(2R)-1-[4-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 95327071
(2S)-1-[4-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 95327073

Frequently Asked Questions

What is the IUPAC name of (2R)-3,3-dimethyl-1-[4-[[(2R)-oxan-2-yl]methyl]piperazin-1-yl]butan-2-ol?
The IUPAC name of (2R)-3,3-dimethyl-1-[4-[[(2R)-oxan-2-yl]methyl]piperazin-1-yl]butan-2-ol (CID 95309204) is (2R)-3,3-dimethyl-1-[4-[[(2R)-oxan-2-yl]methyl]piperazin-1-yl]butan-2-ol.
What is the SMILES notation for (2R)-3,3-dimethyl-1-[4-[[(2R)-oxan-2-yl]methyl]piperazin-1-yl]butan-2-ol?
The canonical SMILES for (2R)-3,3-dimethyl-1-[4-[[(2R)-oxan-2-yl]methyl]piperazin-1-yl]butan-2-ol is CC(C)(C)[C@@H](O)CN1CCN(C[C@H]2CCCCO2)CC1.
What is the InChIKey of (2R)-3,3-dimethyl-1-[4-[[(2R)-oxan-2-yl]methyl]piperazin-1-yl]butan-2-ol?
The InChIKey is BIODCRRLDDXYSK-CABCVRRESA-N. The full InChI is InChI=1S/C16H32N2O2/c1-16(2,3)15(19)13-18-9-7-17(8-10-18)12-14-6-4-5-11-20-14/h14-15,19H,4-13H2,1-3H3/t14-,15+/m1/s1.
What are the key properties of (2R)-3,3-dimethyl-1-[4-[[(2R)-oxan-2-yl]methyl]piperazin-1-yl]butan-2-ol?
(2R)-3,3-dimethyl-1-[4-[[(2R)-oxan-2-yl]methyl]piperazin-1-yl]butan-2-ol has a molecular weight of 284.44 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,3-dimethyl-1-[4-[[(2R)-oxan-2-yl]methyl]piperazin-1-yl]butan-2-ol is sourced from PubChem (CID 95309204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).