1-(2-chloro-3-pyridinyl)-4-propylpiperazine

C12H18ClN3 — CID 174659885

IUPAC1-(2-chloro-3-pyridinyl)-4-propylpiperazine
SMILESCCCN1CCN(c2cccnc2Cl)CC1
InChIInChI=1S/C12H18ClN3/c1-2-6-15-7-9-16(10-8-15)11-4-3-5-14-12(11)13/h3-5H,2,6-10H2,1H3
InChIKeyLXSAZUUOLKMPRE-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.27
Rot. Bonds3

About 1-(2-chloro-3-pyridinyl)-4-propylpiperazine

1-(2-chloro-3-pyridinyl)-4-propylpiperazine (PubChem CID 174659885) has the molecular formula C12H18ClN3 and a molecular weight of 239.75 g/mol. Its IUPAC name is 1-(2-chloro-3-pyridinyl)-4-propylpiperazine.

Molecular Properties

Compound Name1-(2-chloro-3-pyridinyl)-4-propylpiperazine
PubChem CID174659885
Molecular FormulaC12H18ClN3
Molecular Weight239.75 g/mol
Exact Mass239.12
IUPAC Name1-(2-chloro-3-pyridinyl)-4-propylpiperazine
SMILESCCCN1CCN(c2cccnc2Cl)CC1
InChIInChI=1S/C12H18ClN3/c1-2-6-15-7-9-16(10-8-15)11-4-3-5-14-12(11)13/h3-5H,2,6-10H2,1H3
InChIKeyLXSAZUUOLKMPRE-UHFFFAOYSA-N
XLogP2.27
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.27
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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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-pyridinyl)-4-propylpiperazine?
The IUPAC name of 1-(2-chloro-3-pyridinyl)-4-propylpiperazine (CID 174659885) is 1-(2-chloro-3-pyridinyl)-4-propylpiperazine.
What is the SMILES notation for 1-(2-chloro-3-pyridinyl)-4-propylpiperazine?
The canonical SMILES for 1-(2-chloro-3-pyridinyl)-4-propylpiperazine is CCCN1CCN(c2cccnc2Cl)CC1.
What is the InChIKey of 1-(2-chloro-3-pyridinyl)-4-propylpiperazine?
The InChIKey is LXSAZUUOLKMPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3/c1-2-6-15-7-9-16(10-8-15)11-4-3-5-14-12(11)13/h3-5H,2,6-10H2,1H3.
What are the key properties of 1-(2-chloro-3-pyridinyl)-4-propylpiperazine?
1-(2-chloro-3-pyridinyl)-4-propylpiperazine has a molecular weight of 239.75 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-pyridinyl)-4-propylpiperazine is sourced from PubChem (CID 174659885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).