1-[(1R)-1-(2,3,5-trichloro-4-pyridinyl)prop-2-enyl]piperazine

C12H14Cl3N3 — CID 171290173

IUPAC1-[(1R)-1-(2,3,5-trichloro-4-pyridinyl)prop-2-enyl]piperazine
SMILESC=C[C@H](c1c(Cl)cnc(Cl)c1Cl)N1CCNCC1
InChIInChI=1S/C12H14Cl3N3/c1-2-9(18-5-3-16-4-6-18)10-8(13)7-17-12(15)11(10)14/h2,7,9,16H,1,3-6H2/t9-/m1/s1
InChIKeySMYQWCOGOSNRHS-SECBINFHSA-N
MW306.62 g/mol
LogP3.17
Rot. Bonds3

About 1-[(1R)-1-(2,3,5-trichloro-4-pyridinyl)prop-2-enyl]piperazine

1-[(1R)-1-(2,3,5-trichloro-4-pyridinyl)prop-2-enyl]piperazine (PubChem CID 171290173) has the molecular formula C12H14Cl3N3 and a molecular weight of 306.62 g/mol. Its IUPAC name is 1-[(1R)-1-(2,3,5-trichloro-4-pyridinyl)prop-2-enyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(2,3,5-trichloro-4-pyridinyl)prop-2-enyl]piperazine
PubChem CID171290173
Molecular FormulaC12H14Cl3N3
Molecular Weight306.62 g/mol
Exact Mass305.03
IUPAC Name1-[(1R)-1-(2,3,5-trichloro-4-pyridinyl)prop-2-enyl]piperazine
SMILESC=C[C@H](c1c(Cl)cnc(Cl)c1Cl)N1CCNCC1
InChIInChI=1S/C12H14Cl3N3/c1-2-9(18-5-3-16-4-6-18)10-8(13)7-17-12(15)11(10)14/h2,7,9,16H,1,3-6H2/t9-/m1/s1
InChIKeySMYQWCOGOSNRHS-SECBINFHSA-N
XLogP3.17
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.62
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(1S)-2-fluoro-1-(2,3,5-trichloro-4-pyridinyl)ethyl]piperazine
CID 171290179
1-[(R)-cyclopropyl-(2,3,5-trichloro-4-pyridinyl)methyl]piperazine
CID 171290183
1-[(1S)-2,2-dimethyl-1-(2,3,5-trichloro-4-pyridinyl)propyl]piperazine
CID 171277578
1-[(S)-cyclopropyl-(2,3,5-trichloro-4-pyridinyl)methyl]piperazine;dihydrochloride
CID 171277559
1-[(R)-cyclopentyl-(2,3,5-trichloro-4-pyridinyl)methyl]piperazine
CID 171290187
1-[(1R)-1-(2-chloro-3,6-difluorophenyl)prop-2-enyl]piperazine
CID 171171552
1-[(1R)-1-(2,3-dichloro-6-fluorophenyl)prop-2-enyl]piperazine;dihydrochloride
CID 171296365
(3S)-3-piperazin-1-yl-3-(2,3,5-trichloro-4-pyridinyl)propanenitrile;dihydrochloride
CID 171306055
1-[(1R)-4,4,4-trifluoro-1-(2,3,5-trichloro-4-pyridinyl)butyl]piperazine;dihydrochloride
CID 171303657
3,5-dichloro-2-[(1S)-1-piperazin-1-ylprop-2-enyl]phenol
CID 171283799
1-[(1R)-1-(4-chloro-2,6-difluorophenyl)prop-2-enyl]piperazine
CID 171172260
1-[(1S)-1-(2,3,4,5,6-pentamethylphenyl)prop-2-enyl]piperazine;dihydrochloride
CID 171282351

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2,3,5-trichloro-4-pyridinyl)prop-2-enyl]piperazine?
The IUPAC name of 1-[(1R)-1-(2,3,5-trichloro-4-pyridinyl)prop-2-enyl]piperazine (CID 171290173) is 1-[(1R)-1-(2,3,5-trichloro-4-pyridinyl)prop-2-enyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(2,3,5-trichloro-4-pyridinyl)prop-2-enyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(2,3,5-trichloro-4-pyridinyl)prop-2-enyl]piperazine is C=C[C@H](c1c(Cl)cnc(Cl)c1Cl)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(2,3,5-trichloro-4-pyridinyl)prop-2-enyl]piperazine?
The InChIKey is SMYQWCOGOSNRHS-SECBINFHSA-N. The full InChI is InChI=1S/C12H14Cl3N3/c1-2-9(18-5-3-16-4-6-18)10-8(13)7-17-12(15)11(10)14/h2,7,9,16H,1,3-6H2/t9-/m1/s1.
What are the key properties of 1-[(1R)-1-(2,3,5-trichloro-4-pyridinyl)prop-2-enyl]piperazine?
1-[(1R)-1-(2,3,5-trichloro-4-pyridinyl)prop-2-enyl]piperazine has a molecular weight of 306.62 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2,3,5-trichloro-4-pyridinyl)prop-2-enyl]piperazine is sourced from PubChem (CID 171290173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).