1-[(1S)-1-(2,6-dichloro-3-pyridinyl)ethyl]piperazine

C11H15Cl2N3 — CID 131381916

IUPAC1-[(1S)-1-(2,6-dichloro-3-pyridinyl)ethyl]piperazine
SMILESC[C@@H](c1ccc(Cl)nc1Cl)N1CCNCC1
InChIInChI=1S/C11H15Cl2N3/c1-8(16-6-4-14-5-7-16)9-2-3-10(12)15-11(9)13/h2-3,8,14H,4-7H2,1H3/t8-/m0/s1
InChIKeyZFLNNHUZODUSRC-QMMMGPOBSA-N
MW260.17 g/mol
LogP2.35
Rot. Bonds2

About 1-[(1S)-1-(2,6-dichloro-3-pyridinyl)ethyl]piperazine

1-[(1S)-1-(2,6-dichloro-3-pyridinyl)ethyl]piperazine (PubChem CID 131381916) has the molecular formula C11H15Cl2N3 and a molecular weight of 260.17 g/mol. Its IUPAC name is 1-[(1S)-1-(2,6-dichloro-3-pyridinyl)ethyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-(2,6-dichloro-3-pyridinyl)ethyl]piperazine
PubChem CID131381916
Molecular FormulaC11H15Cl2N3
Molecular Weight260.17 g/mol
Exact Mass259.06
IUPAC Name1-[(1S)-1-(2,6-dichloro-3-pyridinyl)ethyl]piperazine
SMILESC[C@@H](c1ccc(Cl)nc1Cl)N1CCNCC1
InChIInChI=1S/C11H15Cl2N3/c1-8(16-6-4-14-5-7-16)9-2-3-10(12)15-11(9)13/h2-3,8,14H,4-7H2,1H3/t8-/m0/s1
InChIKeyZFLNNHUZODUSRC-QMMMGPOBSA-N
XLogP2.35
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.17
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(1R)-1-(2,6-dichloro-3-pyridinyl)ethyl]piperazine
CID 131439638
1-[(1S)-1-(2,6-dichloro-3-pyridinyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171310090
1-[(1S)-1-(2,6-dichloro-3-pyridinyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171305239
1-[(1R)-1-(2,6-dichloro-3-pyridinyl)butyl]piperazine;dihydrochloride
CID 171289236
1-[(R)-cyclopropyl-(2,6-dichloro-3-pyridinyl)methyl]piperazine;dihydrochloride
CID 171289222
1-[(1R)-1-(4-chloro-2-fluorophenyl)ethyl]piperazine
CID 131320342
1-[1-(4-bromo-2-chlorophenyl)ethyl]piperazine
CID 82773468
1-[(1S)-1-(2,3-dichlorophenyl)ethyl]piperazine;dihydrochloride
CID 171277279
2-chloro-3-fluoro-6-[(1S)-1-piperazin-1-ylethyl]phenol
CID 171297795
1-[1-(2,3,4-trifluorophenyl)ethyl]piperazine
CID 82478371
2-chloro-3-fluoro-6-[(1R)-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171300275
1-[(1R)-1-(2-bromo-4-methylphenyl)ethyl]piperazine;dihydrochloride
CID 171288103

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(2,6-dichloro-3-pyridinyl)ethyl]piperazine?
The IUPAC name of 1-[(1S)-1-(2,6-dichloro-3-pyridinyl)ethyl]piperazine (CID 131381916) is 1-[(1S)-1-(2,6-dichloro-3-pyridinyl)ethyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-(2,6-dichloro-3-pyridinyl)ethyl]piperazine?
The canonical SMILES for 1-[(1S)-1-(2,6-dichloro-3-pyridinyl)ethyl]piperazine is C[C@@H](c1ccc(Cl)nc1Cl)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-(2,6-dichloro-3-pyridinyl)ethyl]piperazine?
The InChIKey is ZFLNNHUZODUSRC-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15Cl2N3/c1-8(16-6-4-14-5-7-16)9-2-3-10(12)15-11(9)13/h2-3,8,14H,4-7H2,1H3/t8-/m0/s1.
What are the key properties of 1-[(1S)-1-(2,6-dichloro-3-pyridinyl)ethyl]piperazine?
1-[(1S)-1-(2,6-dichloro-3-pyridinyl)ethyl]piperazine has a molecular weight of 260.17 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(2,6-dichloro-3-pyridinyl)ethyl]piperazine is sourced from PubChem (CID 131381916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).