1-[(E)-3-chloroprop-2-enyl]-3-phenylpiperazine

C13H17ClN2 — CID 107901367

IUPAC1-[(E)-3-chloroprop-2-enyl]-3-phenylpiperazine
SMILESCl/C=C/CN1CCNC(c2ccccc2)C1
InChIInChI=1S/C13H17ClN2/c14-7-4-9-16-10-8-15-13(11-16)12-5-2-1-3-6-12/h1-7,13,15H,8-11H2/b7-4+
InChIKeyLDLGJISRINHZQY-QPJJXVBHSA-N
MW236.75 g/mol
LogP2.39
Rot. Bonds3

About 1-[(E)-3-chloroprop-2-enyl]-3-phenylpiperazine

1-[(E)-3-chloroprop-2-enyl]-3-phenylpiperazine (PubChem CID 107901367) has the molecular formula C13H17ClN2 and a molecular weight of 236.75 g/mol. Its IUPAC name is 1-[(E)-3-chloroprop-2-enyl]-3-phenylpiperazine.

Molecular Properties

Compound Name1-[(E)-3-chloroprop-2-enyl]-3-phenylpiperazine
PubChem CID107901367
Molecular FormulaC13H17ClN2
Molecular Weight236.75 g/mol
Exact Mass236.11
IUPAC Name1-[(E)-3-chloroprop-2-enyl]-3-phenylpiperazine
SMILESCl/C=C/CN1CCNC(c2ccccc2)C1
InChIInChI=1S/C13H17ClN2/c14-7-4-9-16-10-8-15-13(11-16)12-5-2-1-3-6-12/h1-7,13,15H,8-11H2/b7-4+
InChIKeyLDLGJISRINHZQY-QPJJXVBHSA-N
XLogP2.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.75
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-benzyl-3-phenylpiperazine
CID 51910764
1-chloro-3-phenylpiperazine
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CID 64834472
1-[(E)-3-chloroprop-2-enyl]-3-methylpiperazine
CID 65448653
1-[(3-chloro-2-fluorophenyl)methyl]-3-phenylpiperazine
CID 102862405
4-(4-benzylpiperazin-2-yl)benzaldehyde
CID 166460961
3-[(3-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 106408712
1-[(E)-3-chloroprop-2-enyl]-2,2-diethyl-5-phenylpiperazine
CID 107901764
1-(2-ethylsulfanylethyl)-3-phenylpiperazine
CID 113474467
1-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenylpiperazine
CID 103016180
3,5-dimethyl-4-[(3-phenylpiperazin-1-yl)methyl]-1,2-oxazole
CID 79238201
5-[(3-phenylpiperazin-1-yl)methyl]-1,2-oxazole
CID 114186803

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-chloroprop-2-enyl]-3-phenylpiperazine?
The IUPAC name of 1-[(E)-3-chloroprop-2-enyl]-3-phenylpiperazine (CID 107901367) is 1-[(E)-3-chloroprop-2-enyl]-3-phenylpiperazine.
What is the SMILES notation for 1-[(E)-3-chloroprop-2-enyl]-3-phenylpiperazine?
The canonical SMILES for 1-[(E)-3-chloroprop-2-enyl]-3-phenylpiperazine is Cl/C=C/CN1CCNC(c2ccccc2)C1.
What is the InChIKey of 1-[(E)-3-chloroprop-2-enyl]-3-phenylpiperazine?
The InChIKey is LDLGJISRINHZQY-QPJJXVBHSA-N. The full InChI is InChI=1S/C13H17ClN2/c14-7-4-9-16-10-8-15-13(11-16)12-5-2-1-3-6-12/h1-7,13,15H,8-11H2/b7-4+.
What are the key properties of 1-[(E)-3-chloroprop-2-enyl]-3-phenylpiperazine?
1-[(E)-3-chloroprop-2-enyl]-3-phenylpiperazine has a molecular weight of 236.75 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-chloroprop-2-enyl]-3-phenylpiperazine is sourced from PubChem (CID 107901367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).