1-(2-chloroprop-2-enyl)-4-(2-phenylethyl)piperazine

C15H21ClN2 — CID 47018464

IUPAC1-(2-chloroprop-2-enyl)-4-(2-phenylethyl)piperazine
SMILESC=C(Cl)CN1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C15H21ClN2/c1-14(16)13-18-11-9-17(10-12-18)8-7-15-5-3-2-4-6-15/h2-6H,1,7-13H2
InChIKeyUAJPQZKSDKXRNQ-UHFFFAOYSA-N
MW264.80 g/mol
LogP2.60
Rot. Bonds5

About 1-(2-chloroprop-2-enyl)-4-(2-phenylethyl)piperazine

1-(2-chloroprop-2-enyl)-4-(2-phenylethyl)piperazine (PubChem CID 47018464) has the molecular formula C15H21ClN2 and a molecular weight of 264.80 g/mol. Its IUPAC name is 1-(2-chloroprop-2-enyl)-4-(2-phenylethyl)piperazine.

Molecular Properties

Compound Name1-(2-chloroprop-2-enyl)-4-(2-phenylethyl)piperazine
PubChem CID47018464
Molecular FormulaC15H21ClN2
Molecular Weight264.80 g/mol
Exact Mass264.14
IUPAC Name1-(2-chloroprop-2-enyl)-4-(2-phenylethyl)piperazine
SMILESC=C(Cl)CN1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C15H21ClN2/c1-14(16)13-18-11-9-17(10-12-18)8-7-15-5-3-2-4-6-15/h2-6H,1,7-13H2
InChIKeyUAJPQZKSDKXRNQ-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloroethyl)-4-(2-phenylethyl)piperazine
CID 10264250
hypochlorous acid;1-(2-phenylethyl)piperidin-4-amine
CID 159010718
4-methylidene-1-(2-phenylethyl)piperidine
CID 58902713
2-[4-(2-phenylethyl)piperazin-1-yl]-N,N-dipropylacetamide
CID 52553124
1-tert-butyl-4-(2-phenylethyl)piperazine
CID 21132134
1-(4-methylpiperidin-1-yl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanone
CID 134032072
bis(1-(2-phenylethyl)piperazine);dihydrochloride
CID 102602644
methane;4-(2-phenylethyl)morpholine
CID 143698819
4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]benzamide
CID 34947002
(1S,3R)-7-(2-phenylethyl)-7-azaspiro[3.5]nonane-1,3-diol
CID 72916080
N-(1-phenylethyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 18125323
N-[(4-methylphenyl)methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 34943408

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroprop-2-enyl)-4-(2-phenylethyl)piperazine?
The IUPAC name of 1-(2-chloroprop-2-enyl)-4-(2-phenylethyl)piperazine (CID 47018464) is 1-(2-chloroprop-2-enyl)-4-(2-phenylethyl)piperazine.
What is the SMILES notation for 1-(2-chloroprop-2-enyl)-4-(2-phenylethyl)piperazine?
The canonical SMILES for 1-(2-chloroprop-2-enyl)-4-(2-phenylethyl)piperazine is C=C(Cl)CN1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 1-(2-chloroprop-2-enyl)-4-(2-phenylethyl)piperazine?
The InChIKey is UAJPQZKSDKXRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2/c1-14(16)13-18-11-9-17(10-12-18)8-7-15-5-3-2-4-6-15/h2-6H,1,7-13H2.
What are the key properties of 1-(2-chloroprop-2-enyl)-4-(2-phenylethyl)piperazine?
1-(2-chloroprop-2-enyl)-4-(2-phenylethyl)piperazine has a molecular weight of 264.80 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroprop-2-enyl)-4-(2-phenylethyl)piperazine is sourced from PubChem (CID 47018464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).