1-cyclopropyl-2-(3,4,5-trimethylpiperazin-1-yl)ethanol

C12H24N2O — CID 114539152

IUPAC1-cyclopropyl-2-(3,4,5-trimethylpiperazin-1-yl)ethanol
SMILESCC1CN(CC(O)C2CC2)CC(C)N1C
InChIInChI=1S/C12H24N2O/c1-9-6-14(7-10(2)13(9)3)8-12(15)11-4-5-11/h9-12,15H,4-8H2,1-3H3
InChIKeyDUJWJYRTAIBHBP-UHFFFAOYSA-N
MW212.34 g/mol
LogP0.78
Rot. Bonds3

About 1-cyclopropyl-2-(3,4,5-trimethylpiperazin-1-yl)ethanol

1-cyclopropyl-2-(3,4,5-trimethylpiperazin-1-yl)ethanol (PubChem CID 114539152) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-cyclopropyl-2-(3,4,5-trimethylpiperazin-1-yl)ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-(3,4,5-trimethylpiperazin-1-yl)ethanol
PubChem CID114539152
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-cyclopropyl-2-(3,4,5-trimethylpiperazin-1-yl)ethanol
SMILESCC1CN(CC(O)C2CC2)CC(C)N1C
InChIInChI=1S/C12H24N2O/c1-9-6-14(7-10(2)13(9)3)8-12(15)11-4-5-11/h9-12,15H,4-8H2,1-3H3
InChIKeyDUJWJYRTAIBHBP-UHFFFAOYSA-N
XLogP0.78
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Methyl-1-(1-methylethyl)-3-piperidinol
CID 3874539
1,2,5-Trimethylpiperidin-3-ol
CID 3891778
1-(beta-Dimethylaminoethyl)-2,5-dimethyl-4-piperidol
CID 21151607
1-Cyclopropyl-2-(piperazin-1-yl)ethan-1-ol
CID 5109435
1-Cyclopropyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol
CID 63908333
(3R,5S)-5-methyl-1-propan-2-ylpiperidin-3-ol
CID 1415651
(2R)-3-[4-(3-methylbutyl)piperazin-1-yl]butan-2-ol
CID 58721590
1-[4-(3-Methylbutyl)piperazin-1-yl]butan-2-ol
CID 58721625
1-[1-(2-Methylpropyl)azetidin-3-yl]piperidin-3-ol
CID 59603478
1-(1-Cyclopropylpiperidin-4-yl)ethanol
CID 59861739
1-(4-Propan-2-ylpiperazin-1-yl)pentan-2-ol
CID 62043224
1-(4-Methylpiperazin-1-yl)pentan-2-ol
CID 62043661

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(3,4,5-trimethylpiperazin-1-yl)ethanol?
The IUPAC name of 1-cyclopropyl-2-(3,4,5-trimethylpiperazin-1-yl)ethanol (CID 114539152) is 1-cyclopropyl-2-(3,4,5-trimethylpiperazin-1-yl)ethanol.
What is the SMILES notation for 1-cyclopropyl-2-(3,4,5-trimethylpiperazin-1-yl)ethanol?
The canonical SMILES for 1-cyclopropyl-2-(3,4,5-trimethylpiperazin-1-yl)ethanol is CC1CN(CC(O)C2CC2)CC(C)N1C.
What is the InChIKey of 1-cyclopropyl-2-(3,4,5-trimethylpiperazin-1-yl)ethanol?
The InChIKey is DUJWJYRTAIBHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-9-6-14(7-10(2)13(9)3)8-12(15)11-4-5-11/h9-12,15H,4-8H2,1-3H3.
What are the key properties of 1-cyclopropyl-2-(3,4,5-trimethylpiperazin-1-yl)ethanol?
1-cyclopropyl-2-(3,4,5-trimethylpiperazin-1-yl)ethanol has a molecular weight of 212.34 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(3,4,5-trimethylpiperazin-1-yl)ethanol is sourced from PubChem (CID 114539152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).