(E)-3-[3-(4-methylpiperazin-1-yl)phenyl]prop-2-en-1-amine

C14H21N3 — CID 117335129

IUPAC(E)-3-[3-(4-methylpiperazin-1-yl)phenyl]prop-2-en-1-amine
SMILESCN1CCN(c2cccc(/C=C/CN)c2)CC1
InChIInChI=1S/C14H21N3/c1-16-8-10-17(11-9-16)14-6-2-4-13(12-14)5-3-7-15/h2-6,12H,7-11,15H2,1H3/b5-3+
InChIKeyHHRXZWONLYDJDA-HWKANZROSA-N
MW231.34 g/mol
LogP1.41
Rot. Bonds3

About (E)-3-[3-(4-methylpiperazin-1-yl)phenyl]prop-2-en-1-amine

(E)-3-[3-(4-methylpiperazin-1-yl)phenyl]prop-2-en-1-amine (PubChem CID 117335129) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is (E)-3-[3-(4-methylpiperazin-1-yl)phenyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-[3-(4-methylpiperazin-1-yl)phenyl]prop-2-en-1-amine
PubChem CID117335129
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name(E)-3-[3-(4-methylpiperazin-1-yl)phenyl]prop-2-en-1-amine
SMILESCN1CCN(c2cccc(/C=C/CN)c2)CC1
InChIInChI=1S/C14H21N3/c1-16-8-10-17(11-9-16)14-6-2-4-13(12-14)5-3-7-15/h2-6,12H,7-11,15H2,1H3/b5-3+
InChIKeyHHRXZWONLYDJDA-HWKANZROSA-N
XLogP1.41
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethenylphenyl)-4-methylpiperazine
CID 123546085
3-(3-morpholin-4-ylphenyl)prop-2-ene-1-thiol
CID 169455965
3-[3-[(E)-3-aminoprop-1-enyl]phenyl]-1,4-dimethylimidazol-2-one
CID 117360365
S-[4-(3-pyrrolidin-1-ylphenyl)but-3-enyl] ethanethioate
CID 170480864
2-[3-(4-methylpiperazin-1-yl)phenyl]acetonitrile
CID 68945856
4-(3-piperazin-1-ylphenyl)but-3-enal
CID 170482633
4-(3-morpholin-4-ylphenyl)but-3-enenitrile
CID 170800492
1-(4-but-1-enylphenyl)aziridine
CID 154114150
1-[3-(3-azidoprop-1-enyl)phenyl]pyrrolidine
CID 169462444
1-[3-(2,6-dichlorophenyl)phenyl]-4-methylpiperazine
CID 174707727
1-[3-(4,4-difluoropiperidin-1-yl)phenyl]-4-methylpiperazine
CID 163230338
1-methyl-4-(3-methylphenyl)-1,4-diazepane
CID 118420862

Frequently Asked Questions

What is the IUPAC name of (E)-3-[3-(4-methylpiperazin-1-yl)phenyl]prop-2-en-1-amine?
The IUPAC name of (E)-3-[3-(4-methylpiperazin-1-yl)phenyl]prop-2-en-1-amine (CID 117335129) is (E)-3-[3-(4-methylpiperazin-1-yl)phenyl]prop-2-en-1-amine.
What is the SMILES notation for (E)-3-[3-(4-methylpiperazin-1-yl)phenyl]prop-2-en-1-amine?
The canonical SMILES for (E)-3-[3-(4-methylpiperazin-1-yl)phenyl]prop-2-en-1-amine is CN1CCN(c2cccc(/C=C/CN)c2)CC1.
What is the InChIKey of (E)-3-[3-(4-methylpiperazin-1-yl)phenyl]prop-2-en-1-amine?
The InChIKey is HHRXZWONLYDJDA-HWKANZROSA-N. The full InChI is InChI=1S/C14H21N3/c1-16-8-10-17(11-9-16)14-6-2-4-13(12-14)5-3-7-15/h2-6,12H,7-11,15H2,1H3/b5-3+.
What are the key properties of (E)-3-[3-(4-methylpiperazin-1-yl)phenyl]prop-2-en-1-amine?
(E)-3-[3-(4-methylpiperazin-1-yl)phenyl]prop-2-en-1-amine has a molecular weight of 231.34 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3-(4-methylpiperazin-1-yl)phenyl]prop-2-en-1-amine is sourced from PubChem (CID 117335129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).