1-(2-chloroethyl)-4-(3-phenylprop-2-enyl)piperazine

C15H21ClN2 — CID 54353609

IUPAC1-(2-chloroethyl)-4-(3-phenylprop-2-enyl)piperazine
SMILESClCCN1CCN(CC=Cc2ccccc2)CC1
InChIInChI=1S/C15H21ClN2/c16-8-10-18-13-11-17(12-14-18)9-4-7-15-5-2-1-3-6-15/h1-7H,8-14H2
InChIKeyUHNOZZXFRYOMNX-UHFFFAOYSA-N
MW264.80 g/mol
LogP2.56
Rot. Bonds5

About 1-(2-chloroethyl)-4-(3-phenylprop-2-enyl)piperazine

1-(2-chloroethyl)-4-(3-phenylprop-2-enyl)piperazine (PubChem CID 54353609) has the molecular formula C15H21ClN2 and a molecular weight of 264.80 g/mol. Its IUPAC name is 1-(2-chloroethyl)-4-(3-phenylprop-2-enyl)piperazine.

Molecular Properties

Compound Name1-(2-chloroethyl)-4-(3-phenylprop-2-enyl)piperazine
PubChem CID54353609
Molecular FormulaC15H21ClN2
Molecular Weight264.80 g/mol
Exact Mass264.14
IUPAC Name1-(2-chloroethyl)-4-(3-phenylprop-2-enyl)piperazine
SMILESClCCN1CCN(CC=Cc2ccccc2)CC1
InChIInChI=1S/C15H21ClN2/c16-8-10-18-13-11-17(12-14-18)9-4-7-15-5-2-1-3-6-15/h1-7H,8-14H2
InChIKeyUHNOZZXFRYOMNX-UHFFFAOYSA-N
XLogP2.56
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propanoic acid
CID 67280873
1-[2-(2-chlorophenyl)ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 56800369
1-[(E)-3-phenylprop-2-enyl]azepane
CID 10867670
1-hexyl-4-(3-phenylprop-2-enyl)piperazine
CID 71410335
1-(2-chlorophenyl)-4-(3-phenylprop-2-enyl)piperazine
CID 757459
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 43397283
1-benzyl-4-(3-phenylprop-2-enyl)piperazine;oxalic acid
CID 171151283
3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]prop-2-enenitrile
CID 3451915
2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 12051420
1-(azepan-1-yl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one
CID 109030031
4,5-dichloro-2-[2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethyl]pyridazin-3-one;dihydrochloride
CID 67780666
[fluoro-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]phosphane
CID 143877293

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroethyl)-4-(3-phenylprop-2-enyl)piperazine?
The IUPAC name of 1-(2-chloroethyl)-4-(3-phenylprop-2-enyl)piperazine (CID 54353609) is 1-(2-chloroethyl)-4-(3-phenylprop-2-enyl)piperazine.
What is the SMILES notation for 1-(2-chloroethyl)-4-(3-phenylprop-2-enyl)piperazine?
The canonical SMILES for 1-(2-chloroethyl)-4-(3-phenylprop-2-enyl)piperazine is ClCCN1CCN(CC=Cc2ccccc2)CC1.
What is the InChIKey of 1-(2-chloroethyl)-4-(3-phenylprop-2-enyl)piperazine?
The InChIKey is UHNOZZXFRYOMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2/c16-8-10-18-13-11-17(12-14-18)9-4-7-15-5-2-1-3-6-15/h1-7H,8-14H2.
What are the key properties of 1-(2-chloroethyl)-4-(3-phenylprop-2-enyl)piperazine?
1-(2-chloroethyl)-4-(3-phenylprop-2-enyl)piperazine has a molecular weight of 264.80 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethyl)-4-(3-phenylprop-2-enyl)piperazine is sourced from PubChem (CID 54353609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).