1-cyclopropyl-4-[5-(2-methyl-4-pyridinyl)-2-pyridinyl]piperazine;hydrochloride

C18H23ClN4 — CID 23652974

IUPAC1-cyclopropyl-4-[5-(2-methyl-4-pyridinyl)-2-pyridinyl]piperazine;hydrochloride
SMILESCc1cc(-c2ccc(N3CCN(C4CC4)CC3)nc2)ccn1.Cl
InChIInChI=1S/C18H22N4.ClH/c1-14-12-15(6-7-19-14)16-2-5-18(20-13-16)22-10-8-21(9-11-22)17-3-4-17;/h2,5-7,12-13,17H,3-4,8-11H2,1H3;1H
InChIKeyRWEDPZJVQZDNGG-UHFFFAOYSA-N
MW330.86 g/mol
LogP3.16
Rot. Bonds3

About 1-cyclopropyl-4-[5-(2-methyl-4-pyridinyl)-2-pyridinyl]piperazine;hydrochloride

1-cyclopropyl-4-[5-(2-methyl-4-pyridinyl)-2-pyridinyl]piperazine;hydrochloride (PubChem CID 23652974) has the molecular formula C18H23ClN4 and a molecular weight of 330.86 g/mol. Its IUPAC name is 1-cyclopropyl-4-[5-(2-methyl-4-pyridinyl)-2-pyridinyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-cyclopropyl-4-[5-(2-methyl-4-pyridinyl)-2-pyridinyl]piperazine;hydrochloride
PubChem CID23652974
Molecular FormulaC18H23ClN4
Molecular Weight330.86 g/mol
Exact Mass330.16
IUPAC Name1-cyclopropyl-4-[5-(2-methyl-4-pyridinyl)-2-pyridinyl]piperazine;hydrochloride
SMILESCc1cc(-c2ccc(N3CCN(C4CC4)CC3)nc2)ccn1.Cl
InChIInChI=1S/C18H22N4.ClH/c1-14-12-15(6-7-19-14)16-2-5-18(20-13-16)22-10-8-21(9-11-22)17-3-4-17;/h2,5-7,12-13,17H,3-4,8-11H2,1H3;1H
InChIKeyRWEDPZJVQZDNGG-UHFFFAOYSA-N
XLogP3.16
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-[5-(2-methyl-4-pyridinyl)-2-pyridinyl]piperazine;hydrochloride?
The IUPAC name of 1-cyclopropyl-4-[5-(2-methyl-4-pyridinyl)-2-pyridinyl]piperazine;hydrochloride (CID 23652974) is 1-cyclopropyl-4-[5-(2-methyl-4-pyridinyl)-2-pyridinyl]piperazine;hydrochloride.
What is the SMILES notation for 1-cyclopropyl-4-[5-(2-methyl-4-pyridinyl)-2-pyridinyl]piperazine;hydrochloride?
The canonical SMILES for 1-cyclopropyl-4-[5-(2-methyl-4-pyridinyl)-2-pyridinyl]piperazine;hydrochloride is Cc1cc(-c2ccc(N3CCN(C4CC4)CC3)nc2)ccn1.Cl.
What is the InChIKey of 1-cyclopropyl-4-[5-(2-methyl-4-pyridinyl)-2-pyridinyl]piperazine;hydrochloride?
The InChIKey is RWEDPZJVQZDNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4.ClH/c1-14-12-15(6-7-19-14)16-2-5-18(20-13-16)22-10-8-21(9-11-22)17-3-4-17;/h2,5-7,12-13,17H,3-4,8-11H2,1H3;1H.
What are the key properties of 1-cyclopropyl-4-[5-(2-methyl-4-pyridinyl)-2-pyridinyl]piperazine;hydrochloride?
1-cyclopropyl-4-[5-(2-methyl-4-pyridinyl)-2-pyridinyl]piperazine;hydrochloride has a molecular weight of 330.86 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-[5-(2-methyl-4-pyridinyl)-2-pyridinyl]piperazine;hydrochloride is sourced from PubChem (CID 23652974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).