(3,5,6-trimethylpiperazin-2-yl)methanol

C8H18N2O — CID 164899965

IUPAC(3,5,6-trimethylpiperazin-2-yl)methanol
SMILESCC1NC(C)C(CO)NC1C
InChIInChI=1S/C8H18N2O/c1-5-6(2)10-8(4-11)7(3)9-5/h5-11H,4H2,1-3H3
InChIKeyNFBRGKRQYNQYRO-UHFFFAOYSA-N
MW158.24 g/mol
LogP-0.29
Rot. Bonds1

About (3,5,6-trimethylpiperazin-2-yl)methanol

(3,5,6-trimethylpiperazin-2-yl)methanol (PubChem CID 164899965) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is (3,5,6-trimethylpiperazin-2-yl)methanol.

Molecular Properties

Compound Name(3,5,6-trimethylpiperazin-2-yl)methanol
PubChem CID164899965
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name(3,5,6-trimethylpiperazin-2-yl)methanol
SMILESCC1NC(C)C(CO)NC1C
InChIInChI=1S/C8H18N2O/c1-5-6(2)10-8(4-11)7(3)9-5/h5-11H,4H2,1-3H3
InChIKeyNFBRGKRQYNQYRO-UHFFFAOYSA-N
XLogP-0.29
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Ethambutol
CID 14052
Ethambutol Hydrochloride
CID 14051
(2R)-2-[(2-{[(2R)-1-Hdroxybutan-2-yl]amino}ethyl)amino]butan-1-ol dihydrochloride
CID 3279
(2R,2'R)-2,2'-(ethane-1,2-diylbis(azanediyl))bis(butan-1-ol) hydrochloride
CID 6852402
Ethambutol, meso-
CID 470072
Ethambutol, (R,R)-
CID 470071
Piperazineethanol
CID 91308
(2S)-2-((2-(((2S)-1-Hydroxypropan-2-yl)amino)ethyl)amino)butan-1-ol
CID 9990101
(2S)-2-[2-[[(2S)-1-hydroxybutan-2-yl]amino]ethylamino]butan-1-ol;hydrochloride
CID 16051971
2-(2-Methylpiperazin-1-yl)ethan-1-ol
CID 14747391
(S)-2-((2-(((R)-1-Hydroxypropan-2-yl)amino)ethyl)amino)butan-1-ol
CID 44291041
2-(2-Aminoethylamino)butan-1-ol
CID 469916

Frequently Asked Questions

What is the IUPAC name of (3,5,6-trimethylpiperazin-2-yl)methanol?
The IUPAC name of (3,5,6-trimethylpiperazin-2-yl)methanol (CID 164899965) is (3,5,6-trimethylpiperazin-2-yl)methanol.
What is the SMILES notation for (3,5,6-trimethylpiperazin-2-yl)methanol?
The canonical SMILES for (3,5,6-trimethylpiperazin-2-yl)methanol is CC1NC(C)C(CO)NC1C.
What is the InChIKey of (3,5,6-trimethylpiperazin-2-yl)methanol?
The InChIKey is NFBRGKRQYNQYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-5-6(2)10-8(4-11)7(3)9-5/h5-11H,4H2,1-3H3.
What are the key properties of (3,5,6-trimethylpiperazin-2-yl)methanol?
(3,5,6-trimethylpiperazin-2-yl)methanol has a molecular weight of 158.24 g/mol, XLogP of -0.29, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5,6-trimethylpiperazin-2-yl)methanol is sourced from PubChem (CID 164899965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).