1-[(E)-3-chloroprop-2-enyl]-2-ethyl-2-methyl-5-propan-2-ylpiperazine

C13H25ClN2 — CID 107901484

IUPAC1-[(E)-3-chloroprop-2-enyl]-2-ethyl-2-methyl-5-propan-2-ylpiperazine
SMILESCCC1(C)CNC(C(C)C)CN1C/C=C/Cl
InChIInChI=1S/C13H25ClN2/c1-5-13(4)10-15-12(11(2)3)9-16(13)8-6-7-14/h6-7,11-12,15H,5,8-10H2,1-4H3/b7-6+
InChIKeyPHZOKXDLGWMHFV-VOTSOKGWSA-N
MW244.81 g/mol
LogP2.84
Rot. Bonds4

About 1-[(E)-3-chloroprop-2-enyl]-2-ethyl-2-methyl-5-propan-2-ylpiperazine

1-[(E)-3-chloroprop-2-enyl]-2-ethyl-2-methyl-5-propan-2-ylpiperazine (PubChem CID 107901484) has the molecular formula C13H25ClN2 and a molecular weight of 244.81 g/mol. Its IUPAC name is 1-[(E)-3-chloroprop-2-enyl]-2-ethyl-2-methyl-5-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[(E)-3-chloroprop-2-enyl]-2-ethyl-2-methyl-5-propan-2-ylpiperazine
PubChem CID107901484
Molecular FormulaC13H25ClN2
Molecular Weight244.81 g/mol
Exact Mass244.17
IUPAC Name1-[(E)-3-chloroprop-2-enyl]-2-ethyl-2-methyl-5-propan-2-ylpiperazine
SMILESCCC1(C)CNC(C(C)C)CN1C/C=C/Cl
InChIInChI=1S/C13H25ClN2/c1-5-13(4)10-15-12(11(2)3)9-16(13)8-6-7-14/h6-7,11-12,15H,5,8-10H2,1-4H3/b7-6+
InChIKeyPHZOKXDLGWMHFV-VOTSOKGWSA-N
XLogP2.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.81
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-2-methyl-5-propan-2-yl-1-(2,2,2-trifluoroethyl)piperazine
CID 64837904
1-[(E)-3-chloroprop-2-enyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 107901489
1-[(4-chlorophenyl)methyl]-2-ethyl-2-methyl-5-propan-2-ylpiperazine
CID 64840421
1-[(3,4-dichlorophenyl)methyl]-2-ethyl-2-methyl-5-propan-2-ylpiperazine
CID 64840035
5-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-2-ethyl-2-methylpiperazine
CID 106440446
2-ethyl-1-[2-(3-methoxypropoxy)ethyl]-2-methyl-5-propan-2-ylpiperazine
CID 103184494
5-butan-2-yl-2-ethyl-2-methyl-1-propylpiperazine
CID 64847681
1-[(5-bromothiophen-2-yl)methyl]-2-ethyl-2-methyl-5-propan-2-ylpiperazine
CID 64840423
5-butan-2-yl-2-ethyl-2-methyl-1-(2-methylbutyl)piperazine
CID 64848260
1-[(E)-but-2-enyl]-5-tert-butyl-2-ethyl-2-methylpiperazine
CID 107897969
5-butan-2-yl-1-(cyclopropylmethyl)-2-ethyl-2-methylpiperazine
CID 64849416
5-butan-2-yl-1-(cyclobutylmethyl)-2-ethyl-2-methylpiperazine
CID 65462478

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-chloroprop-2-enyl]-2-ethyl-2-methyl-5-propan-2-ylpiperazine?
The IUPAC name of 1-[(E)-3-chloroprop-2-enyl]-2-ethyl-2-methyl-5-propan-2-ylpiperazine (CID 107901484) is 1-[(E)-3-chloroprop-2-enyl]-2-ethyl-2-methyl-5-propan-2-ylpiperazine.
What is the SMILES notation for 1-[(E)-3-chloroprop-2-enyl]-2-ethyl-2-methyl-5-propan-2-ylpiperazine?
The canonical SMILES for 1-[(E)-3-chloroprop-2-enyl]-2-ethyl-2-methyl-5-propan-2-ylpiperazine is CCC1(C)CNC(C(C)C)CN1C/C=C/Cl.
What is the InChIKey of 1-[(E)-3-chloroprop-2-enyl]-2-ethyl-2-methyl-5-propan-2-ylpiperazine?
The InChIKey is PHZOKXDLGWMHFV-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H25ClN2/c1-5-13(4)10-15-12(11(2)3)9-16(13)8-6-7-14/h6-7,11-12,15H,5,8-10H2,1-4H3/b7-6+.
What are the key properties of 1-[(E)-3-chloroprop-2-enyl]-2-ethyl-2-methyl-5-propan-2-ylpiperazine?
1-[(E)-3-chloroprop-2-enyl]-2-ethyl-2-methyl-5-propan-2-ylpiperazine has a molecular weight of 244.81 g/mol, XLogP of 2.84, 4 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]-2-ethyl-2-methyl-5-propan-2-ylpiperazine is sourced from PubChem (CID 107901484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).