1-ethylpiperidine;piperazine-1-carbaldehyde

C12H25N3O — CID 172592732

IUPAC1-ethylpiperidine;piperazine-1-carbaldehyde
SMILESCCN1CCCCC1.O=CN1CCNCC1
InChIInChI=1S/C7H15N.C5H10N2O/c1-2-8-6-4-3-5-7-8;8-5-7-3-1-6-2-4-7/h2-7H2,1H3;5-6H,1-4H2
InChIKeyYKPWTZQOVUZQGM-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.54
Rot. Bonds2

About 1-ethylpiperidine;piperazine-1-carbaldehyde

1-ethylpiperidine;piperazine-1-carbaldehyde (PubChem CID 172592732) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-ethylpiperidine;piperazine-1-carbaldehyde.

Molecular Properties

Compound Name1-ethylpiperidine;piperazine-1-carbaldehyde
PubChem CID172592732
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name1-ethylpiperidine;piperazine-1-carbaldehyde
SMILESCCN1CCCCC1.O=CN1CCNCC1
InChIInChI=1S/C7H15N.C5H10N2O/c1-2-8-6-4-3-5-7-8;8-5-7-3-1-6-2-4-7/h2-7H2,1H3;5-6H,1-4H2
InChIKeyYKPWTZQOVUZQGM-UHFFFAOYSA-N
XLogP0.54
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.54
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

1-(1-Piperidinylcarbonyl)piperazine
CID 1095015
N-(2-piperidin-1-ylethyl)formamide
CID 21957372
N-(3-piperidinopropyl) carboxamide
CID 64992831
N-[2-(4-fluoropiperidin-1-yl)ethyl]formamide
CID 87596098
N-[2-(3-fluoropiperidin-1-yl)ethyl]formamide
CID 87598326
Piperidine-1-carboselenoate;piperidin-1-ium
CID 14383541
Piperidine-1-carbothioate;piperidin-1-ium
CID 88836625
N-[3,3-difluoro-1-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]formamide
CID 154671521
Formamide, N-(1-methyl-3-piperidinyl)-
CID 12297906
N-[3-(1-methylpiperazin-1-ium-1-yl)propyl]formamide
CID 17797147
N-[3-(4-Methylpiperazin-1-YL)propyl]formamide
CID 18183534
N-[2-(4-propylpiperazin-1-yl)ethyl]formamide
CID 18695560

Frequently Asked Questions

What is the IUPAC name of 1-ethylpiperidine;piperazine-1-carbaldehyde?
The IUPAC name of 1-ethylpiperidine;piperazine-1-carbaldehyde (CID 172592732) is 1-ethylpiperidine;piperazine-1-carbaldehyde.
What is the SMILES notation for 1-ethylpiperidine;piperazine-1-carbaldehyde?
The canonical SMILES for 1-ethylpiperidine;piperazine-1-carbaldehyde is CCN1CCCCC1.O=CN1CCNCC1.
What is the InChIKey of 1-ethylpiperidine;piperazine-1-carbaldehyde?
The InChIKey is YKPWTZQOVUZQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.C5H10N2O/c1-2-8-6-4-3-5-7-8;8-5-7-3-1-6-2-4-7/h2-7H2,1H3;5-6H,1-4H2.
What are the key properties of 1-ethylpiperidine;piperazine-1-carbaldehyde?
1-ethylpiperidine;piperazine-1-carbaldehyde has a molecular weight of 227.35 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylpiperidine;piperazine-1-carbaldehyde is sourced from PubChem (CID 172592732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).