2-chloro-N-methyl-N-(2-piperazin-1-ylethyl)prop-2-en-1-amine

C10H20ClN3 — CID 63266542

IUPAC2-chloro-N-methyl-N-(2-piperazin-1-ylethyl)prop-2-en-1-amine
SMILESC=C(Cl)CN(C)CCN1CCNCC1
InChIInChI=1S/C10H20ClN3/c1-10(11)9-13(2)7-8-14-5-3-12-4-6-14/h12H,1,3-9H2,2H3
InChIKeyFVPJNZBVYNJRCK-UHFFFAOYSA-N
MW217.74 g/mol
LogP0.58
Rot. Bonds5

About 2-chloro-N-methyl-N-(2-piperazin-1-ylethyl)prop-2-en-1-amine

2-chloro-N-methyl-N-(2-piperazin-1-ylethyl)prop-2-en-1-amine (PubChem CID 63266542) has the molecular formula C10H20ClN3 and a molecular weight of 217.74 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-(2-piperazin-1-ylethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-chloro-N-methyl-N-(2-piperazin-1-ylethyl)prop-2-en-1-amine
PubChem CID63266542
Molecular FormulaC10H20ClN3
Molecular Weight217.74 g/mol
Exact Mass217.13
IUPAC Name2-chloro-N-methyl-N-(2-piperazin-1-ylethyl)prop-2-en-1-amine
SMILESC=C(Cl)CN(C)CCN1CCNCC1
InChIInChI=1S/C10H20ClN3/c1-10(11)9-13(2)7-8-14-5-3-12-4-6-14/h12H,1,3-9H2,2H3
InChIKeyFVPJNZBVYNJRCK-UHFFFAOYSA-N
XLogP0.58
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.74
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(2-piperazin-1-ylethyl)prop-2-en-1-amine
CID 63265346
N,N,N'-trimethyl-N'-(2-piperazin-1-ylethyl)propane-1,3-diamine
CID 63695224
methyl N-[2-[methyl(2-piperazin-1-ylethyl)amino]acetyl]carbamate
CID 55167527
4-[[2-[methyl(2-piperazin-1-ylethyl)amino]acetyl]amino]butanoic acid
CID 63265218
N-methyl-N-(2-piperazin-1-ylethyl)nonan-1-amine
CID 63265554
N,N'-dimethyl-N'-[2-[methyl(2-piperazin-1-ylethyl)amino]ethyl]ethane-1,2-diamine
CID 126510399
N-(2-methyl-4-oxopentan-3-yl)-2-[methyl(2-piperazin-1-ylethyl)amino]acetamide
CID 63265483
1-(2,6-dimethylmorpholin-4-yl)-2-[methyl(2-piperazin-1-ylethyl)amino]ethanone
CID 63265431
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-piperazin-1-ylethanamine
CID 63236887
N-(cyclobutylmethyl)-N-methyl-2-piperazin-1-ylethanamine
CID 62860620
2-methyl-3-[methyl(2-piperazin-1-ylethyl)amino]propanamide
CID 63265226
N,N-dimethyl-1-[[methyl(2-piperazin-1-ylethyl)amino]methyl]cyclobutan-1-amine
CID 105414842

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-(2-piperazin-1-ylethyl)prop-2-en-1-amine?
The IUPAC name of 2-chloro-N-methyl-N-(2-piperazin-1-ylethyl)prop-2-en-1-amine (CID 63266542) is 2-chloro-N-methyl-N-(2-piperazin-1-ylethyl)prop-2-en-1-amine.
What is the SMILES notation for 2-chloro-N-methyl-N-(2-piperazin-1-ylethyl)prop-2-en-1-amine?
The canonical SMILES for 2-chloro-N-methyl-N-(2-piperazin-1-ylethyl)prop-2-en-1-amine is C=C(Cl)CN(C)CCN1CCNCC1.
What is the InChIKey of 2-chloro-N-methyl-N-(2-piperazin-1-ylethyl)prop-2-en-1-amine?
The InChIKey is FVPJNZBVYNJRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClN3/c1-10(11)9-13(2)7-8-14-5-3-12-4-6-14/h12H,1,3-9H2,2H3.
What are the key properties of 2-chloro-N-methyl-N-(2-piperazin-1-ylethyl)prop-2-en-1-amine?
2-chloro-N-methyl-N-(2-piperazin-1-ylethyl)prop-2-en-1-amine has a molecular weight of 217.74 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-(2-piperazin-1-ylethyl)prop-2-en-1-amine is sourced from PubChem (CID 63266542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).