3-(4-ethylpiperazin-1-yl)-2,2-dimethylpropan-1-ol

C11H24N2O — CID 62270177

IUPAC3-(4-ethylpiperazin-1-yl)-2,2-dimethylpropan-1-ol
SMILESCCN1CCN(CC(C)(C)CO)CC1
InChIInChI=1S/C11H24N2O/c1-4-12-5-7-13(8-6-12)9-11(2,3)10-14/h14H,4-10H2,1-3H3
InChIKeyIGLAKSDNWMKREM-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.64
Rot. Bonds4

About 3-(4-ethylpiperazin-1-yl)-2,2-dimethylpropan-1-ol

3-(4-ethylpiperazin-1-yl)-2,2-dimethylpropan-1-ol (PubChem CID 62270177) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 3-(4-ethylpiperazin-1-yl)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-(4-ethylpiperazin-1-yl)-2,2-dimethylpropan-1-ol
PubChem CID62270177
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name3-(4-ethylpiperazin-1-yl)-2,2-dimethylpropan-1-ol
SMILESCCN1CCN(CC(C)(C)CO)CC1
InChIInChI=1S/C11H24N2O/c1-4-12-5-7-13(8-6-12)9-11(2,3)10-14/h14H,4-10H2,1-3H3
InChIKeyIGLAKSDNWMKREM-UHFFFAOYSA-N
XLogP0.64
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-3-[4,7,10-tris(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]propan-1-ol
CID 123455408
1,4,7,10,13,16-hexaethyl-1,4,7,10,13,16-hexazacyclooctadecane
CID 66730221
tert-butyl 4-(3-hydroxy-2,2-dimethylpropyl)piperazine-1-carboxylate
CID 15718283
1-(4-ethylpiperazin-1-yl)-2,3-dimethylbutan-2-ol
CID 114447436
3-(3,4-dimethylpyrrolidin-1-yl)-2,2-dimethylpropan-1-ol
CID 115277765
3-(5-azaspiro[2.3]hexan-5-yl)-2,2-dimethylpropan-1-ol
CID 104550659
3-[4-(4-chlorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-ol
CID 62270034
1,4-diethylpiperazine;sulfane
CID 177062456
1-(2,2-dimethyl-3-phenylpropyl)-4-ethylpiperazine
CID 144727735
(4-ethylpiperazin-1-yl)methanol;methane
CID 161108744
N-ethyl-1-(4-ethylpiperazin-1-yl)-2-methylpropan-2-amine
CID 62834273
3-[4-(2-hydroxyethoxy)piperidin-1-yl]-2,2-dimethylpropan-1-ol
CID 115773133

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpiperazin-1-yl)-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-(4-ethylpiperazin-1-yl)-2,2-dimethylpropan-1-ol (CID 62270177) is 3-(4-ethylpiperazin-1-yl)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-(4-ethylpiperazin-1-yl)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-(4-ethylpiperazin-1-yl)-2,2-dimethylpropan-1-ol is CCN1CCN(CC(C)(C)CO)CC1.
What is the InChIKey of 3-(4-ethylpiperazin-1-yl)-2,2-dimethylpropan-1-ol?
The InChIKey is IGLAKSDNWMKREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-4-12-5-7-13(8-6-12)9-11(2,3)10-14/h14H,4-10H2,1-3H3.
What are the key properties of 3-(4-ethylpiperazin-1-yl)-2,2-dimethylpropan-1-ol?
3-(4-ethylpiperazin-1-yl)-2,2-dimethylpropan-1-ol has a molecular weight of 200.33 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylpiperazin-1-yl)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 62270177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).