4-(1-methylpiperidin-3-yl)piperazine-1-carbaldehyde

C11H21N3O — CID 91380261

IUPAC4-(1-methylpiperidin-3-yl)piperazine-1-carbaldehyde
SMILESCN1CCCC(N2CCN(C=O)CC2)C1
InChIInChI=1S/C11H21N3O/c1-12-4-2-3-11(9-12)14-7-5-13(10-15)6-8-14/h10-11H,2-9H2,1H3
InChIKeyRFDPPBIKEVFJNI-UHFFFAOYSA-N
MW211.31 g/mol
LogP-0.15
Rot. Bonds2

About 4-(1-methylpiperidin-3-yl)piperazine-1-carbaldehyde

4-(1-methylpiperidin-3-yl)piperazine-1-carbaldehyde (PubChem CID 91380261) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 4-(1-methylpiperidin-3-yl)piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-(1-methylpiperidin-3-yl)piperazine-1-carbaldehyde
PubChem CID91380261
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name4-(1-methylpiperidin-3-yl)piperazine-1-carbaldehyde
SMILESCN1CCCC(N2CCN(C=O)CC2)C1
InChIInChI=1S/C11H21N3O/c1-12-4-2-3-11(9-12)14-7-5-13(10-15)6-8-14/h10-11H,2-9H2,1H3
InChIKeyRFDPPBIKEVFJNI-UHFFFAOYSA-N
XLogP-0.15
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 5-0.15
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-[2-(4-Formyl-2,6-dimethyl-piperazin-1-yl)ethyl]-3,5-dimethyl-piperazine-1-carbaldehyde
CID 251553
4-[2-(4-Formyl-2,5-dimethylpiperazin-1-yl)ethyl]-2,5-dimethylpiperazine-1-carbaldehyde
CID 247527
1-(1-Acetyl-4-piperidinyl)-4-ethylpiperazine
CID 781966
1-Piperazinecarboxaldehyde,4-(1-ethyl-4-piperidinyl)-(9CI)
CID 2846675
1,4'-Bipiperidine-1'-carbaldehyde
CID 17953099
3,3-Difluoropiperidine-1-carbaldehyde;1-methyl-4-propan-2-ylpiperazine
CID 145233597
4,4-Difluoropiperidine-1-carbaldehyde;1-methyl-4-propan-2-ylpiperazine
CID 145233611
4-(4-Butylpiperazin-1-yl)-3,3-difluoropiperidine-1-carbaldehyde;ethane
CID 176558302
Piperazine impurity 50
CID 57781957
1-[4-(1-Fluoropiperidin-3-yl)piperazin-1-yl]ethanone
CID 142272734
4-(4-Butylpiperazin-1-yl)-3,3-difluoropiperidine-1-carbaldehyde
CID 176558303
1-Acetyl-4-(1-ethyl-4-piperidinyl)piperazine
CID 2846476

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpiperidin-3-yl)piperazine-1-carbaldehyde?
The IUPAC name of 4-(1-methylpiperidin-3-yl)piperazine-1-carbaldehyde (CID 91380261) is 4-(1-methylpiperidin-3-yl)piperazine-1-carbaldehyde.
What is the SMILES notation for 4-(1-methylpiperidin-3-yl)piperazine-1-carbaldehyde?
The canonical SMILES for 4-(1-methylpiperidin-3-yl)piperazine-1-carbaldehyde is CN1CCCC(N2CCN(C=O)CC2)C1.
What is the InChIKey of 4-(1-methylpiperidin-3-yl)piperazine-1-carbaldehyde?
The InChIKey is RFDPPBIKEVFJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-12-4-2-3-11(9-12)14-7-5-13(10-15)6-8-14/h10-11H,2-9H2,1H3.
What are the key properties of 4-(1-methylpiperidin-3-yl)piperazine-1-carbaldehyde?
4-(1-methylpiperidin-3-yl)piperazine-1-carbaldehyde has a molecular weight of 211.31 g/mol, XLogP of -0.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpiperidin-3-yl)piperazine-1-carbaldehyde is sourced from PubChem (CID 91380261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).