2-[4-[2-(methylamino)prop-2-enyl]piperazin-1-yl]ethanol

C10H21N3O — CID 175620685

IUPAC2-[4-[2-(methylamino)prop-2-enyl]piperazin-1-yl]ethanol
SMILESC=C(CN1CCN(CCO)CC1)NC
InChIInChI=1S/C10H21N3O/c1-10(11-2)9-13-5-3-12(4-6-13)7-8-14/h11,14H,1,3-9H2,2H3
InChIKeyKITBJBQDUUQMLO-UHFFFAOYSA-N
MW199.30 g/mol
LogP-0.67
Rot. Bonds5

About 2-[4-[2-(methylamino)prop-2-enyl]piperazin-1-yl]ethanol

2-[4-[2-(methylamino)prop-2-enyl]piperazin-1-yl]ethanol (PubChem CID 175620685) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-[4-[2-(methylamino)prop-2-enyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[2-(methylamino)prop-2-enyl]piperazin-1-yl]ethanol
PubChem CID175620685
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name2-[4-[2-(methylamino)prop-2-enyl]piperazin-1-yl]ethanol
SMILESC=C(CN1CCN(CCO)CC1)NC
InChIInChI=1S/C10H21N3O/c1-10(11-2)9-13-5-3-12(4-6-13)7-8-14/h11,14H,1,3-9H2,2H3
InChIKeyKITBJBQDUUQMLO-UHFFFAOYSA-N
XLogP-0.67
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(methylamino)prop-2-enyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[2-(methylamino)prop-2-enyl]piperazin-1-yl]ethanol (CID 175620685) is 2-[4-[2-(methylamino)prop-2-enyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[2-(methylamino)prop-2-enyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[2-(methylamino)prop-2-enyl]piperazin-1-yl]ethanol is C=C(CN1CCN(CCO)CC1)NC.
What is the InChIKey of 2-[4-[2-(methylamino)prop-2-enyl]piperazin-1-yl]ethanol?
The InChIKey is KITBJBQDUUQMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-10(11-2)9-13-5-3-12(4-6-13)7-8-14/h11,14H,1,3-9H2,2H3.
What are the key properties of 2-[4-[2-(methylamino)prop-2-enyl]piperazin-1-yl]ethanol?
2-[4-[2-(methylamino)prop-2-enyl]piperazin-1-yl]ethanol has a molecular weight of 199.30 g/mol, XLogP of -0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(methylamino)prop-2-enyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 175620685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).