5-(3,3,4-trimethylpiperazin-1-yl)pentan-2-ol

C12H26N2O — CID 63635754

IUPAC5-(3,3,4-trimethylpiperazin-1-yl)pentan-2-ol
SMILESCC(O)CCCN1CCN(C)C(C)(C)C1
InChIInChI=1S/C12H26N2O/c1-11(15)6-5-7-14-9-8-13(4)12(2,3)10-14/h11,15H,5-10H2,1-4H3
InChIKeyNEDQJCQYRWSFFA-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.17
Rot. Bonds4

About 5-(3,3,4-trimethylpiperazin-1-yl)pentan-2-ol

5-(3,3,4-trimethylpiperazin-1-yl)pentan-2-ol (PubChem CID 63635754) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 5-(3,3,4-trimethylpiperazin-1-yl)pentan-2-ol.

Molecular Properties

Compound Name5-(3,3,4-trimethylpiperazin-1-yl)pentan-2-ol
PubChem CID63635754
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name5-(3,3,4-trimethylpiperazin-1-yl)pentan-2-ol
SMILESCC(O)CCCN1CCN(C)C(C)(C)C1
InChIInChI=1S/C12H26N2O/c1-11(15)6-5-7-14-9-8-13(4)12(2,3)10-14/h11,15H,5-10H2,1-4H3
InChIKeyNEDQJCQYRWSFFA-UHFFFAOYSA-N
XLogP1.17
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3,3,4-trimethylpiperazin-1-yl)hexan-2-amine
CID 63608610
5-(3,3,4-trimethylpiperazin-1-yl)pentan-2-one
CID 63635156
5-(3,3,4-trimethylpiperazin-1-yl)pentanoic acid
CID 63608884
N-propyl-6-(3,3,4-trimethylpiperazin-1-yl)hexan-2-amine
CID 63611239
(2R)-1-(3,3,4-trimethylpiperazin-1-yl)butan-2-ol
CID 130572077
1-amino-3-(3,3,4-trimethylpiperazin-1-yl)propan-2-ol
CID 63608754
5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pentan-2-ol
CID 62888141
2,2-dimethyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanoic acid
CID 65254593
4-(3,3,4-trimethylpiperazin-1-yl)butanimidamide
CID 63610574
5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-2-ol
CID 55140389
5-(2-azaspiro[3.5]nonan-2-yl)pentan-2-ol
CID 106131344
ethyl 2-amino-4-(3,3,4-trimethylpiperazin-1-yl)butanoate
CID 55215441

Frequently Asked Questions

What is the IUPAC name of 5-(3,3,4-trimethylpiperazin-1-yl)pentan-2-ol?
The IUPAC name of 5-(3,3,4-trimethylpiperazin-1-yl)pentan-2-ol (CID 63635754) is 5-(3,3,4-trimethylpiperazin-1-yl)pentan-2-ol.
What is the SMILES notation for 5-(3,3,4-trimethylpiperazin-1-yl)pentan-2-ol?
The canonical SMILES for 5-(3,3,4-trimethylpiperazin-1-yl)pentan-2-ol is CC(O)CCCN1CCN(C)C(C)(C)C1.
What is the InChIKey of 5-(3,3,4-trimethylpiperazin-1-yl)pentan-2-ol?
The InChIKey is NEDQJCQYRWSFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-11(15)6-5-7-14-9-8-13(4)12(2,3)10-14/h11,15H,5-10H2,1-4H3.
What are the key properties of 5-(3,3,4-trimethylpiperazin-1-yl)pentan-2-ol?
5-(3,3,4-trimethylpiperazin-1-yl)pentan-2-ol has a molecular weight of 214.35 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3,4-trimethylpiperazin-1-yl)pentan-2-ol is sourced from PubChem (CID 63635754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).