1-[2-[(1-ethylpyrrolidin-2-yl)methyl]prop-2-enyl]piperazine

C14H27N3 — CID 117269424

IUPAC1-[2-[(1-ethylpyrrolidin-2-yl)methyl]prop-2-enyl]piperazine
SMILESC=C(CC1CCCN1CC)CN1CCNCC1
InChIInChI=1S/C14H27N3/c1-3-17-8-4-5-14(17)11-13(2)12-16-9-6-15-7-10-16/h14-15H,2-12H2,1H3
InChIKeyYALJGGLFFOROTH-UHFFFAOYSA-N
MW237.39 g/mol
LogP1.32
Rot. Bonds5

About 1-[2-[(1-ethylpyrrolidin-2-yl)methyl]prop-2-enyl]piperazine

1-[2-[(1-ethylpyrrolidin-2-yl)methyl]prop-2-enyl]piperazine (PubChem CID 117269424) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-[2-[(1-ethylpyrrolidin-2-yl)methyl]prop-2-enyl]piperazine.

Molecular Properties

Compound Name1-[2-[(1-ethylpyrrolidin-2-yl)methyl]prop-2-enyl]piperazine
PubChem CID117269424
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name1-[2-[(1-ethylpyrrolidin-2-yl)methyl]prop-2-enyl]piperazine
SMILESC=C(CC1CCCN1CC)CN1CCNCC1
InChIInChI=1S/C14H27N3/c1-3-17-8-4-5-14(17)11-13(2)12-16-9-6-15-7-10-16/h14-15H,2-12H2,1H3
InChIKeyYALJGGLFFOROTH-UHFFFAOYSA-N
XLogP1.32
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[(1-ethylpyrrolidin-2-yl)methyl]but-3-enal
CID 117268629
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-piperidin-4-ylmethanamine
CID 79699728
1-[2-(thian-4-ylmethyl)prop-2-enyl]piperazine
CID 117269393
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-2-piperazin-1-ylethanesulfonamide
CID 79311349
[(2S)-1-(2-methylidenebutyl)pyrrolidin-2-yl]methanol
CID 66261614
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpiperidin-4-amine
CID 79313995
1-(2-cyclopentylprop-2-enyl)piperazine
CID 117269489
1,2-diethylpyrrolidine;hydrochloride
CID 175060343
(1-ethylazepan-2-yl)methanol
CID 2849413
(1-ethyl-1,4-diazepan-2-yl)methanol
CID 82240889
1-ethyl-2-propylpyrrolidine;hydrofluoride
CID 175875195
ethane;1-ethyl-2-propylpyrrolidine
CID 143005022

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1-ethylpyrrolidin-2-yl)methyl]prop-2-enyl]piperazine?
The IUPAC name of 1-[2-[(1-ethylpyrrolidin-2-yl)methyl]prop-2-enyl]piperazine (CID 117269424) is 1-[2-[(1-ethylpyrrolidin-2-yl)methyl]prop-2-enyl]piperazine.
What is the SMILES notation for 1-[2-[(1-ethylpyrrolidin-2-yl)methyl]prop-2-enyl]piperazine?
The canonical SMILES for 1-[2-[(1-ethylpyrrolidin-2-yl)methyl]prop-2-enyl]piperazine is C=C(CC1CCCN1CC)CN1CCNCC1.
What is the InChIKey of 1-[2-[(1-ethylpyrrolidin-2-yl)methyl]prop-2-enyl]piperazine?
The InChIKey is YALJGGLFFOROTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-3-17-8-4-5-14(17)11-13(2)12-16-9-6-15-7-10-16/h14-15H,2-12H2,1H3.
What are the key properties of 1-[2-[(1-ethylpyrrolidin-2-yl)methyl]prop-2-enyl]piperazine?
1-[2-[(1-ethylpyrrolidin-2-yl)methyl]prop-2-enyl]piperazine has a molecular weight of 237.39 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1-ethylpyrrolidin-2-yl)methyl]prop-2-enyl]piperazine is sourced from PubChem (CID 117269424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).