1-[(5-chloro-2-pyridinyl)methyl]-4-(3-methoxypropyl)piperazine

C14H22ClN3O — CID 75503370

IUPAC1-[(5-chloro-2-pyridinyl)methyl]-4-(3-methoxypropyl)piperazine
SMILESCOCCCN1CCN(Cc2ccc(Cl)cn2)CC1
InChIInChI=1S/C14H22ClN3O/c1-19-10-2-5-17-6-8-18(9-7-17)12-14-4-3-13(15)11-16-14/h3-4,11H,2,5-10,12H2,1H3
InChIKeyWOQGAWGLNRXTMR-UHFFFAOYSA-N
MW283.80 g/mol
LogP1.89
Rot. Bonds6

About 1-[(5-chloro-2-pyridinyl)methyl]-4-(3-methoxypropyl)piperazine

1-[(5-chloro-2-pyridinyl)methyl]-4-(3-methoxypropyl)piperazine (PubChem CID 75503370) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 1-[(5-chloro-2-pyridinyl)methyl]-4-(3-methoxypropyl)piperazine.

Molecular Properties

Compound Name1-[(5-chloro-2-pyridinyl)methyl]-4-(3-methoxypropyl)piperazine
PubChem CID75503370
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name1-[(5-chloro-2-pyridinyl)methyl]-4-(3-methoxypropyl)piperazine
SMILESCOCCCN1CCN(Cc2ccc(Cl)cn2)CC1
InChIInChI=1S/C14H22ClN3O/c1-19-10-2-5-17-6-8-18(9-7-17)12-14-4-3-13(15)11-16-14/h3-4,11H,2,5-10,12H2,1H3
InChIKeyWOQGAWGLNRXTMR-UHFFFAOYSA-N
XLogP1.89
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-pyridinyl)methyl]-4-(3-methoxypropyl)piperazine?
The IUPAC name of 1-[(5-chloro-2-pyridinyl)methyl]-4-(3-methoxypropyl)piperazine (CID 75503370) is 1-[(5-chloro-2-pyridinyl)methyl]-4-(3-methoxypropyl)piperazine.
What is the SMILES notation for 1-[(5-chloro-2-pyridinyl)methyl]-4-(3-methoxypropyl)piperazine?
The canonical SMILES for 1-[(5-chloro-2-pyridinyl)methyl]-4-(3-methoxypropyl)piperazine is COCCCN1CCN(Cc2ccc(Cl)cn2)CC1.
What is the InChIKey of 1-[(5-chloro-2-pyridinyl)methyl]-4-(3-methoxypropyl)piperazine?
The InChIKey is WOQGAWGLNRXTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-19-10-2-5-17-6-8-18(9-7-17)12-14-4-3-13(15)11-16-14/h3-4,11H,2,5-10,12H2,1H3.
What are the key properties of 1-[(5-chloro-2-pyridinyl)methyl]-4-(3-methoxypropyl)piperazine?
1-[(5-chloro-2-pyridinyl)methyl]-4-(3-methoxypropyl)piperazine has a molecular weight of 283.80 g/mol, XLogP of 1.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-pyridinyl)methyl]-4-(3-methoxypropyl)piperazine is sourced from PubChem (CID 75503370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).