4-pyridin-2-ylpiperazine-1-carbaldehyde;hydrochloride

C10H14ClN3O — CID 135186029

IUPAC4-pyridin-2-ylpiperazine-1-carbaldehyde;hydrochloride
SMILESCl.O=CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C10H13N3O.ClH/c14-9-12-5-7-13(8-6-12)10-3-1-2-4-11-10;/h1-4,9H,5-8H2;1H
InChIKeyNKOMDCZCCUKXOW-UHFFFAOYSA-N
MW227.70 g/mol
LogP0.78
Rot. Bonds2

About 4-pyridin-2-ylpiperazine-1-carbaldehyde;hydrochloride

4-pyridin-2-ylpiperazine-1-carbaldehyde;hydrochloride (PubChem CID 135186029) has the molecular formula C10H14ClN3O and a molecular weight of 227.70 g/mol. Its IUPAC name is 4-pyridin-2-ylpiperazine-1-carbaldehyde;hydrochloride.

Molecular Properties

Compound Name4-pyridin-2-ylpiperazine-1-carbaldehyde;hydrochloride
PubChem CID135186029
Molecular FormulaC10H14ClN3O
Molecular Weight227.70 g/mol
Exact Mass227.08
IUPAC Name4-pyridin-2-ylpiperazine-1-carbaldehyde;hydrochloride
SMILESCl.O=CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C10H13N3O.ClH/c14-9-12-5-7-13(8-6-12)10-3-1-2-4-11-10;/h1-4,9H,5-8H2;1H
InChIKeyNKOMDCZCCUKXOW-UHFFFAOYSA-N
XLogP0.78
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.70
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-pyridin-2-ylpiperazin-1-yl)piperidine-1-carbaldehyde
CID 142272690
3-(4-pyridin-2-ylpiperazin-1-yl)azetidine-1-carbaldehyde
CID 123583794
4-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine-3-carbonyl]piperazine-1-carbaldehyde
CID 109116967
4-[5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrimidin-2-yl]piperazine-1-carbaldehyde
CID 109254495
4-[6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109345747
1-fluoro-4-pyridin-2-ylpiperazine
CID 143401045
4-[5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carbonyl]piperazine-1-carbaldehyde
CID 109186951
1-chloro-4-pyridin-2-ylpiperazine
CID 130280526
4-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112858250
methanamine;1-methyl-4-pyridin-2-ylpiperazine
CID 145148686
4-pyridin-2-ylpiperazine-1-sulfonic acid
CID 142758233
2-chloro-6-(4-pyridin-2-ylpiperazin-1-yl)benzaldehyde
CID 29053148

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-2-ylpiperazine-1-carbaldehyde;hydrochloride?
The IUPAC name of 4-pyridin-2-ylpiperazine-1-carbaldehyde;hydrochloride (CID 135186029) is 4-pyridin-2-ylpiperazine-1-carbaldehyde;hydrochloride.
What is the SMILES notation for 4-pyridin-2-ylpiperazine-1-carbaldehyde;hydrochloride?
The canonical SMILES for 4-pyridin-2-ylpiperazine-1-carbaldehyde;hydrochloride is Cl.O=CN1CCN(c2ccccn2)CC1.
What is the InChIKey of 4-pyridin-2-ylpiperazine-1-carbaldehyde;hydrochloride?
The InChIKey is NKOMDCZCCUKXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O.ClH/c14-9-12-5-7-13(8-6-12)10-3-1-2-4-11-10;/h1-4,9H,5-8H2;1H.
What are the key properties of 4-pyridin-2-ylpiperazine-1-carbaldehyde;hydrochloride?
4-pyridin-2-ylpiperazine-1-carbaldehyde;hydrochloride has a molecular weight of 227.70 g/mol, XLogP of 0.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-2-ylpiperazine-1-carbaldehyde;hydrochloride is sourced from PubChem (CID 135186029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).