1-butan-2-yl-4-(2-chloro-4-pyridinyl)piperazine

C13H20ClN3 — CID 102824186

IUPAC1-butan-2-yl-4-(2-chloro-4-pyridinyl)piperazine
SMILESCCC(C)N1CCN(c2ccnc(Cl)c2)CC1
InChIInChI=1S/C13H20ClN3/c1-3-11(2)16-6-8-17(9-7-16)12-4-5-15-13(14)10-12/h4-5,10-11H,3,6-9H2,1-2H3
InChIKeyNLANTGKNFNUSPR-UHFFFAOYSA-N
MW253.78 g/mol
LogP2.66
Rot. Bonds3

About 1-butan-2-yl-4-(2-chloro-4-pyridinyl)piperazine

1-butan-2-yl-4-(2-chloro-4-pyridinyl)piperazine (PubChem CID 102824186) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is 1-butan-2-yl-4-(2-chloro-4-pyridinyl)piperazine.

Molecular Properties

Compound Name1-butan-2-yl-4-(2-chloro-4-pyridinyl)piperazine
PubChem CID102824186
Molecular FormulaC13H20ClN3
Molecular Weight253.78 g/mol
Exact Mass253.13
IUPAC Name1-butan-2-yl-4-(2-chloro-4-pyridinyl)piperazine
SMILESCCC(C)N1CCN(c2ccnc(Cl)c2)CC1
InChIInChI=1S/C13H20ClN3/c1-3-11(2)16-6-8-17(9-7-16)12-4-5-15-13(14)10-12/h4-5,10-11H,3,6-9H2,1-2H3
InChIKeyNLANTGKNFNUSPR-UHFFFAOYSA-N
XLogP2.66
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloro-4-pyridinyl)-4-pyridin-4-ylpiperazine
CID 133373099
2-chloro-4-(4-ethyl-4-methylpiperidin-1-yl)pyridine
CID 103756719
1-tert-butyl-4-(2-chloro-4-pyridinyl)piperazine
CID 103756521
2-[4-(2-chloro-4-pyridinyl)piperazin-1-yl]-4-ethoxy-6-methylpyrimidine
CID 133379177
2-chloro-4-(4,4-difluoropiperidin-1-yl)pyridine
CID 121204880
1-(2-chloro-4-pyridinyl)-4-(4-methylphenyl)-1,4-diazepane
CID 133359948
1-butan-2-yl-4-[3-chloro-5-(chloromethyl)-2-pyridinyl]piperazine
CID 55116917
4-(4-butan-2-ylpiperazin-1-yl)phenol;dihydrobromide
CID 20519340
1-[5-(4-butan-2-ylpiperazin-1-yl)-2-pyridinyl]propan-1-ol
CID 115940446
4-(4-butan-2-ylpiperazin-1-yl)-2-chlorobenzenecarboximidamide
CID 62947534
4-(4-butan-2-ylpiperazin-1-yl)-2-propoxyaniline
CID 63677340
1-butan-2-yl-4-(4-methoxyphenyl)piperazine;dihydrochloride
CID 20519338

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-(2-chloro-4-pyridinyl)piperazine?
The IUPAC name of 1-butan-2-yl-4-(2-chloro-4-pyridinyl)piperazine (CID 102824186) is 1-butan-2-yl-4-(2-chloro-4-pyridinyl)piperazine.
What is the SMILES notation for 1-butan-2-yl-4-(2-chloro-4-pyridinyl)piperazine?
The canonical SMILES for 1-butan-2-yl-4-(2-chloro-4-pyridinyl)piperazine is CCC(C)N1CCN(c2ccnc(Cl)c2)CC1.
What is the InChIKey of 1-butan-2-yl-4-(2-chloro-4-pyridinyl)piperazine?
The InChIKey is NLANTGKNFNUSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3/c1-3-11(2)16-6-8-17(9-7-16)12-4-5-15-13(14)10-12/h4-5,10-11H,3,6-9H2,1-2H3.
What are the key properties of 1-butan-2-yl-4-(2-chloro-4-pyridinyl)piperazine?
1-butan-2-yl-4-(2-chloro-4-pyridinyl)piperazine has a molecular weight of 253.78 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-(2-chloro-4-pyridinyl)piperazine is sourced from PubChem (CID 102824186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).