acetaldehyde;N-methyl-2-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanamine

C18H38N4O — CID 171081423

IUPACacetaldehyde;N-methyl-2-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanamine
SMILESCC=O.CNCCN1CCN(CC2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C16H34N4.C2H4O/c1-15(2)20-7-4-16(5-8-20)14-19-12-10-18(11-13-19)9-6-17-3;1-2-3/h15-17H,4-14H2,1-3H3;2H,1H3
InChIKeyCFPNSXUOQOCRPJ-UHFFFAOYSA-N
MW326.53 g/mol
LogP1.15
Rot. Bonds6

About acetaldehyde;N-methyl-2-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanamine

acetaldehyde;N-methyl-2-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanamine (PubChem CID 171081423) has the molecular formula C18H38N4O and a molecular weight of 326.53 g/mol. Its IUPAC name is acetaldehyde;N-methyl-2-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanamine.

Molecular Properties

Compound Nameacetaldehyde;N-methyl-2-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanamine
PubChem CID171081423
Molecular FormulaC18H38N4O
Molecular Weight326.53 g/mol
Exact Mass326.30
IUPAC Nameacetaldehyde;N-methyl-2-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanamine
SMILESCC=O.CNCCN1CCN(CC2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C16H34N4.C2H4O/c1-15(2)20-7-4-16(5-8-20)14-19-12-10-18(11-13-19)9-6-17-3;1-2-3/h15-17H,4-14H2,1-3H3;2H,1H3
InChIKeyCFPNSXUOQOCRPJ-UHFFFAOYSA-N
XLogP1.15
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.53
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetaldehyde;N-methyl-2-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanamine?
The IUPAC name of acetaldehyde;N-methyl-2-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanamine (CID 171081423) is acetaldehyde;N-methyl-2-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanamine.
What is the SMILES notation for acetaldehyde;N-methyl-2-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanamine?
The canonical SMILES for acetaldehyde;N-methyl-2-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanamine is CC=O.CNCCN1CCN(CC2CCN(C(C)C)CC2)CC1.
What is the InChIKey of acetaldehyde;N-methyl-2-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanamine?
The InChIKey is CFPNSXUOQOCRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4.C2H4O/c1-15(2)20-7-4-16(5-8-20)14-19-12-10-18(11-13-19)9-6-17-3;1-2-3/h15-17H,4-14H2,1-3H3;2H,1H3.
What are the key properties of acetaldehyde;N-methyl-2-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanamine?
acetaldehyde;N-methyl-2-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanamine has a molecular weight of 326.53 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;N-methyl-2-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanamine is sourced from PubChem (CID 171081423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).