1-methylpiperazine-2-carbaldehyde;hydrochloride

C6H13ClN2O — CID 172770261

IUPAC1-methylpiperazine-2-carbaldehyde;hydrochloride
SMILESCN1CCNCC1C=O.Cl
InChIInChI=1S/C6H12N2O.ClH/c1-8-3-2-7-4-6(8)5-9;/h5-7H,2-4H2,1H3;1H
InChIKeyMWAOAEJZOFSBBE-UHFFFAOYSA-N
MW164.64 g/mol
LogP-0.49
Rot. Bonds1

About 1-methylpiperazine-2-carbaldehyde;hydrochloride

1-methylpiperazine-2-carbaldehyde;hydrochloride (PubChem CID 172770261) has the molecular formula C6H13ClN2O and a molecular weight of 164.64 g/mol. Its IUPAC name is 1-methylpiperazine-2-carbaldehyde;hydrochloride.

Molecular Properties

Compound Name1-methylpiperazine-2-carbaldehyde;hydrochloride
PubChem CID172770261
Molecular FormulaC6H13ClN2O
Molecular Weight164.64 g/mol
Exact Mass164.07
IUPAC Name1-methylpiperazine-2-carbaldehyde;hydrochloride
SMILESCN1CCNCC1C=O.Cl
InChIInChI=1S/C6H12N2O.ClH/c1-8-3-2-7-4-6(8)5-9;/h5-7H,2-4H2,1H3;1H
InChIKeyMWAOAEJZOFSBBE-UHFFFAOYSA-N
XLogP-0.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.64
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

PERPHENAZINE_met004
CID 19350625
Diformylpiperazine
CID 19016607
5-(Trifluoromethyl)piperazine-2-carbaldehyde
CID 155673434
1-(2-Fluoroethyl)piperazine-2-carbaldehyde
CID 174440577
1-(2,2,2-Trifluoroethyl)piperazine-2-carbaldehyde
CID 174862763
1-(1,2,2-Trifluoroethyl)piperazine-2-carbaldehyde
CID 174862765
2-Fluoro-2-piperazin-1-ylpropanal
CID 175277493
(2S)-2-[[(2S)-2-aminopropyl]amino]propanal
CID 177693287
(3S)-3-fluoropiperazine-2-carbaldehyde
CID 88145966
Piperazine-2-carbaldehyde
CID 17915568
2-Piperazin-1-ylpropanal
CID 19608631
2-Amino-3-(ethylamino)propanal
CID 23126935

Frequently Asked Questions

What is the IUPAC name of 1-methylpiperazine-2-carbaldehyde;hydrochloride?
The IUPAC name of 1-methylpiperazine-2-carbaldehyde;hydrochloride (CID 172770261) is 1-methylpiperazine-2-carbaldehyde;hydrochloride.
What is the SMILES notation for 1-methylpiperazine-2-carbaldehyde;hydrochloride?
The canonical SMILES for 1-methylpiperazine-2-carbaldehyde;hydrochloride is CN1CCNCC1C=O.Cl.
What is the InChIKey of 1-methylpiperazine-2-carbaldehyde;hydrochloride?
The InChIKey is MWAOAEJZOFSBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O.ClH/c1-8-3-2-7-4-6(8)5-9;/h5-7H,2-4H2,1H3;1H.
What are the key properties of 1-methylpiperazine-2-carbaldehyde;hydrochloride?
1-methylpiperazine-2-carbaldehyde;hydrochloride has a molecular weight of 164.64 g/mol, XLogP of -0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpiperazine-2-carbaldehyde;hydrochloride is sourced from PubChem (CID 172770261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).