4-(4-methylpiperazin-1-yl)piperidine-1-carbaldehyde;propane

C14H29N3O — CID 144790307

IUPAC4-(4-methylpiperazin-1-yl)piperidine-1-carbaldehyde;propane
SMILESCCC.CN1CCN(C2CCN(C=O)CC2)CC1
InChIInChI=1S/C11H21N3O.C3H8/c1-12-6-8-14(9-7-12)11-2-4-13(10-15)5-3-11;1-3-2/h10-11H,2-9H2,1H3;3H2,1-2H3
InChIKeyZUAHCRNITMVTRN-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.27
Rot. Bonds2

About 4-(4-methylpiperazin-1-yl)piperidine-1-carbaldehyde;propane

4-(4-methylpiperazin-1-yl)piperidine-1-carbaldehyde;propane (PubChem CID 144790307) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)piperidine-1-carbaldehyde;propane.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)piperidine-1-carbaldehyde;propane
PubChem CID144790307
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name4-(4-methylpiperazin-1-yl)piperidine-1-carbaldehyde;propane
SMILESCCC.CN1CCN(C2CCN(C=O)CC2)CC1
InChIInChI=1S/C11H21N3O.C3H8/c1-12-6-8-14(9-7-12)11-2-4-13(10-15)5-3-11;1-3-2/h10-11H,2-9H2,1H3;3H2,1-2H3
InChIKeyZUAHCRNITMVTRN-UHFFFAOYSA-N
XLogP1.27
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.27
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

1-(4-(Piperidin-1-yl)piperidin-1-yl)ethanone
CID 14571195
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
Irinotecan Impurity 53
CID 21359235
Piperazine impurity 50
CID 57781957
4-(4-Butylpiperazin-1-yl)-3,3-difluoropiperidine-1-carbaldehyde
CID 176558303

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)piperidine-1-carbaldehyde;propane?
The IUPAC name of 4-(4-methylpiperazin-1-yl)piperidine-1-carbaldehyde;propane (CID 144790307) is 4-(4-methylpiperazin-1-yl)piperidine-1-carbaldehyde;propane.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)piperidine-1-carbaldehyde;propane?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)piperidine-1-carbaldehyde;propane is CCC.CN1CCN(C2CCN(C=O)CC2)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)piperidine-1-carbaldehyde;propane?
The InChIKey is ZUAHCRNITMVTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O.C3H8/c1-12-6-8-14(9-7-12)11-2-4-13(10-15)5-3-11;1-3-2/h10-11H,2-9H2,1H3;3H2,1-2H3.
What are the key properties of 4-(4-methylpiperazin-1-yl)piperidine-1-carbaldehyde;propane?
4-(4-methylpiperazin-1-yl)piperidine-1-carbaldehyde;propane has a molecular weight of 255.41 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)piperidine-1-carbaldehyde;propane is sourced from PubChem (CID 144790307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).