3-[(2,6-dimethylpiperazin-1-yl)methyl]pentan-3-ol

C12H26N2O — CID 114496466

IUPAC3-[(2,6-dimethylpiperazin-1-yl)methyl]pentan-3-ol
SMILESCCC(O)(CC)CN1C(C)CNCC1C
InChIInChI=1S/C12H26N2O/c1-5-12(15,6-2)9-14-10(3)7-13-8-11(14)4/h10-11,13,15H,5-9H2,1-4H3
InChIKeySHISCHXKNYGYNO-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.22
Rot. Bonds4

About 3-[(2,6-dimethylpiperazin-1-yl)methyl]pentan-3-ol

3-[(2,6-dimethylpiperazin-1-yl)methyl]pentan-3-ol (PubChem CID 114496466) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 3-[(2,6-dimethylpiperazin-1-yl)methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[(2,6-dimethylpiperazin-1-yl)methyl]pentan-3-ol
PubChem CID114496466
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name3-[(2,6-dimethylpiperazin-1-yl)methyl]pentan-3-ol
SMILESCCC(O)(CC)CN1C(C)CNCC1C
InChIInChI=1S/C12H26N2O/c1-5-12(15,6-2)9-14-10(3)7-13-8-11(14)4/h10-11,13,15H,5-9H2,1-4H3
InChIKeySHISCHXKNYGYNO-UHFFFAOYSA-N
XLogP1.22
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,6-dimethylpiperazin-1-yl)-2-methylbutan-2-ol
CID 79355088
2,6-dimethyl-1-(2,2,3,3,3-pentafluoropropyl)piperazine
CID 144741571
1-ethyl-2,6-dimethylpiperazine;dihydrochloride
CID 122360216
ethane;1-ethyl-2,6-dimethylpiperazine
CID 170737878
(2S,6R)-2,6-dimethyl-1-propylpiperazine;hydrochloride
CID 130710519
3-[[2-(aminomethyl)-6-methylpiperidin-1-yl]methyl]pentan-3-ol
CID 114496475
3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pentan-3-ol
CID 103936738
3-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-ylmethyl)pentan-3-ol
CID 102681942
(2S,6R)-1-butyl-2,6-dimethylpiperazine;hydrochloride
CID 130616499
3-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]pentan-3-ol
CID 114495754
N-ethyl-1-(2-ethyl-2-hydroxybutyl)piperazine-2-carboxamide
CID 114496531
2,6-dimethyl-1-prop-2-ynylpiperazine
CID 63911212

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dimethylpiperazin-1-yl)methyl]pentan-3-ol?
The IUPAC name of 3-[(2,6-dimethylpiperazin-1-yl)methyl]pentan-3-ol (CID 114496466) is 3-[(2,6-dimethylpiperazin-1-yl)methyl]pentan-3-ol.
What is the SMILES notation for 3-[(2,6-dimethylpiperazin-1-yl)methyl]pentan-3-ol?
The canonical SMILES for 3-[(2,6-dimethylpiperazin-1-yl)methyl]pentan-3-ol is CCC(O)(CC)CN1C(C)CNCC1C.
What is the InChIKey of 3-[(2,6-dimethylpiperazin-1-yl)methyl]pentan-3-ol?
The InChIKey is SHISCHXKNYGYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-5-12(15,6-2)9-14-10(3)7-13-8-11(14)4/h10-11,13,15H,5-9H2,1-4H3.
What are the key properties of 3-[(2,6-dimethylpiperazin-1-yl)methyl]pentan-3-ol?
3-[(2,6-dimethylpiperazin-1-yl)methyl]pentan-3-ol has a molecular weight of 214.35 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dimethylpiperazin-1-yl)methyl]pentan-3-ol is sourced from PubChem (CID 114496466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).