4-butylpiperazine-1-carbaldehyde;ethane

C13H30N2O — CID 164877634

IUPAC4-butylpiperazine-1-carbaldehyde;ethane
SMILESCC.CC.CCCCN1CCN(C=O)CC1
InChIInChI=1S/C9H18N2O.2C2H6/c1-2-3-4-10-5-7-11(9-12)8-6-10;2*1-2/h9H,2-8H2,1H3;2*1-2H3
InChIKeyMKWVNFXTNZBUNZ-UHFFFAOYSA-N
MW230.40 g/mol
LogP2.61
Rot. Bonds4

About 4-butylpiperazine-1-carbaldehyde;ethane

4-butylpiperazine-1-carbaldehyde;ethane (PubChem CID 164877634) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is 4-butylpiperazine-1-carbaldehyde;ethane.

Molecular Properties

Compound Name4-butylpiperazine-1-carbaldehyde;ethane
PubChem CID164877634
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC Name4-butylpiperazine-1-carbaldehyde;ethane
SMILESCC.CC.CCCCN1CCN(C=O)CC1
InChIInChI=1S/C9H18N2O.2C2H6/c1-2-3-4-10-5-7-11(9-12)8-6-10;2*1-2/h9H,2-8H2,1H3;2*1-2H3
InChIKeyMKWVNFXTNZBUNZ-UHFFFAOYSA-N
XLogP2.61
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(3-aminopropyl)piperazine-1-carbaldehyde
CID 21054641
3-(4-formylpiperazin-1-yl)-N-pentylpropanamide
CID 109017998
1-butylazetidine;ethane
CID 143628082
3-(4-butylpiperazin-1-yl)-N-[3-(4-butylpiperazin-1-yl)propyl]propan-1-amine
CID 69028178
1-octylaziridine
CID 544653
1,4,7-tridodecyl-1,4,7-triazonane
CID 66887116
3-(4-butylpiperazin-1-yl)propan-1-amine
CID 15485218
ethane;1-methyl-4-pentylpiperazine
CID 145099418
butan-1-ol;pyrrolidine-1-carbaldehyde
CID 161098245
4-butyl-1,4-thiazinane 1,1-dioxide;ethane
CID 143865715
ethane;piperidine-1-carbaldehyde;propane
CID 170585838
4-butylsulfonylpiperazine-1-carbaldehyde
CID 110755404

Frequently Asked Questions

What is the IUPAC name of 4-butylpiperazine-1-carbaldehyde;ethane?
The IUPAC name of 4-butylpiperazine-1-carbaldehyde;ethane (CID 164877634) is 4-butylpiperazine-1-carbaldehyde;ethane.
What is the SMILES notation for 4-butylpiperazine-1-carbaldehyde;ethane?
The canonical SMILES for 4-butylpiperazine-1-carbaldehyde;ethane is CC.CC.CCCCN1CCN(C=O)CC1.
What is the InChIKey of 4-butylpiperazine-1-carbaldehyde;ethane?
The InChIKey is MKWVNFXTNZBUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.2C2H6/c1-2-3-4-10-5-7-11(9-12)8-6-10;2*1-2/h9H,2-8H2,1H3;2*1-2H3.
What are the key properties of 4-butylpiperazine-1-carbaldehyde;ethane?
4-butylpiperazine-1-carbaldehyde;ethane has a molecular weight of 230.40 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butylpiperazine-1-carbaldehyde;ethane is sourced from PubChem (CID 164877634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).