3-[4-[(2-methylpropan-2-yl)oxy]piperazin-1-yl]propan-1-ol

C11H24N2O2 — CID 141044637

IUPAC3-[4-[(2-methylpropan-2-yl)oxy]piperazin-1-yl]propan-1-ol
SMILESCC(C)(C)ON1CCN(CCCO)CC1
InChIInChI=1S/C11H24N2O2/c1-11(2,3)15-13-8-6-12(7-9-13)5-4-10-14/h14H,4-10H2,1-3H3
InChIKeyMPSBYSIPOLQTJP-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.72
Rot. Bonds4

About 3-[4-[(2-methylpropan-2-yl)oxy]piperazin-1-yl]propan-1-ol

3-[4-[(2-methylpropan-2-yl)oxy]piperazin-1-yl]propan-1-ol (PubChem CID 141044637) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 3-[4-[(2-methylpropan-2-yl)oxy]piperazin-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[(2-methylpropan-2-yl)oxy]piperazin-1-yl]propan-1-ol
PubChem CID141044637
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name3-[4-[(2-methylpropan-2-yl)oxy]piperazin-1-yl]propan-1-ol
SMILESCC(C)(C)ON1CCN(CCCO)CC1
InChIInChI=1S/C11H24N2O2/c1-11(2,3)15-13-8-6-12(7-9-13)5-4-10-14/h14H,4-10H2,1-3H3
InChIKeyMPSBYSIPOLQTJP-UHFFFAOYSA-N
XLogP0.72
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(3-hydroxypropyl)-1,4-diazepan-1-yl]propan-1-ol;hydrobromide
CID 70500350
tert-butyl 4-(5-hydroxypentyl)piperazine-1-carboxylate
CID 82123975
10-(4-methylpiperazin-1-yl)decan-1-ol;12-(4-methylpiperazin-1-yl)dodecan-1-ol
CID 22218533
3-[10-(3-hydroxypropyl)-1,4,7,10-tetrazabicyclo[5.5.3]pentadecan-4-yl]propan-1-ol
CID 101041195
(2R)-1-[4-(4-hydroxybutyl)piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 97311891
5-[4-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]piperazin-1-yl]pentan-1-ol
CID 164735629
tert-butyl 4-[2-(4-hydroxybutoxy)ethyl]piperazine-1-carboxylate
CID 139791303
tert-butyl 4-[4-(5-hydroxypentyl)piperazin-1-yl]-4-oxobutanoate
CID 126836827
tert-butyl (2R)-4-(3-hydroxypropyl)-2-methylpiperazine-1-carboxylate
CID 95777078
acetylene;3-piperidin-1-ylpropan-1-ol
CID 162683866
2-[4-[2-(3,3-dimethylbutoxy)ethyl]piperazin-1-yl]ethanol
CID 138648065
N-[4-(3-hydroxypropyl)piperazin-1-yl]acetamide
CID 163505577

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-methylpropan-2-yl)oxy]piperazin-1-yl]propan-1-ol?
The IUPAC name of 3-[4-[(2-methylpropan-2-yl)oxy]piperazin-1-yl]propan-1-ol (CID 141044637) is 3-[4-[(2-methylpropan-2-yl)oxy]piperazin-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-[(2-methylpropan-2-yl)oxy]piperazin-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-[(2-methylpropan-2-yl)oxy]piperazin-1-yl]propan-1-ol is CC(C)(C)ON1CCN(CCCO)CC1.
What is the InChIKey of 3-[4-[(2-methylpropan-2-yl)oxy]piperazin-1-yl]propan-1-ol?
The InChIKey is MPSBYSIPOLQTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-11(2,3)15-13-8-6-12(7-9-13)5-4-10-14/h14H,4-10H2,1-3H3.
What are the key properties of 3-[4-[(2-methylpropan-2-yl)oxy]piperazin-1-yl]propan-1-ol?
3-[4-[(2-methylpropan-2-yl)oxy]piperazin-1-yl]propan-1-ol has a molecular weight of 216.32 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-methylpropan-2-yl)oxy]piperazin-1-yl]propan-1-ol is sourced from PubChem (CID 141044637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).