acetaldehyde;1-cyclohexyl-N-(4-fluorophenyl)-N-methylpiperidin-4-amine

C20H31FN2O — CID 143303357

IUPACacetaldehyde;1-cyclohexyl-N-(4-fluorophenyl)-N-methylpiperidin-4-amine
SMILESCC=O.CN(c1ccc(F)cc1)C1CCN(C2CCCCC2)CC1
InChIInChI=1S/C18H27FN2.C2H4O/c1-20(16-9-7-15(19)8-10-16)17-11-13-21(14-12-17)18-5-3-2-4-6-18;1-2-3/h7-10,17-18H,2-6,11-14H2,1H3;2H,1H3
InChIKeyKMEINVLBZLXTRH-UHFFFAOYSA-N
MW334.48 g/mol
LogP4.26
Rot. Bonds3

About acetaldehyde;1-cyclohexyl-N-(4-fluorophenyl)-N-methylpiperidin-4-amine

acetaldehyde;1-cyclohexyl-N-(4-fluorophenyl)-N-methylpiperidin-4-amine (PubChem CID 143303357) has the molecular formula C20H31FN2O and a molecular weight of 334.48 g/mol. Its IUPAC name is acetaldehyde;1-cyclohexyl-N-(4-fluorophenyl)-N-methylpiperidin-4-amine.

Molecular Properties

Compound Nameacetaldehyde;1-cyclohexyl-N-(4-fluorophenyl)-N-methylpiperidin-4-amine
PubChem CID143303357
Molecular FormulaC20H31FN2O
Molecular Weight334.48 g/mol
Exact Mass334.24
IUPAC Nameacetaldehyde;1-cyclohexyl-N-(4-fluorophenyl)-N-methylpiperidin-4-amine
SMILESCC=O.CN(c1ccc(F)cc1)C1CCN(C2CCCCC2)CC1
InChIInChI=1S/C18H27FN2.C2H4O/c1-20(16-9-7-15(19)8-10-16)17-11-13-21(14-12-17)18-5-3-2-4-6-18;1-2-3/h7-10,17-18H,2-6,11-14H2,1H3;2H,1H3
InChIKeyKMEINVLBZLXTRH-UHFFFAOYSA-N
XLogP4.26
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.48
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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;1-cyclohexyl-N-(4-fluorophenyl)-N-methylpiperidin-4-amine?
The IUPAC name of acetaldehyde;1-cyclohexyl-N-(4-fluorophenyl)-N-methylpiperidin-4-amine (CID 143303357) is acetaldehyde;1-cyclohexyl-N-(4-fluorophenyl)-N-methylpiperidin-4-amine.
What is the SMILES notation for acetaldehyde;1-cyclohexyl-N-(4-fluorophenyl)-N-methylpiperidin-4-amine?
The canonical SMILES for acetaldehyde;1-cyclohexyl-N-(4-fluorophenyl)-N-methylpiperidin-4-amine is CC=O.CN(c1ccc(F)cc1)C1CCN(C2CCCCC2)CC1.
What is the InChIKey of acetaldehyde;1-cyclohexyl-N-(4-fluorophenyl)-N-methylpiperidin-4-amine?
The InChIKey is KMEINVLBZLXTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2.C2H4O/c1-20(16-9-7-15(19)8-10-16)17-11-13-21(14-12-17)18-5-3-2-4-6-18;1-2-3/h7-10,17-18H,2-6,11-14H2,1H3;2H,1H3.
What are the key properties of acetaldehyde;1-cyclohexyl-N-(4-fluorophenyl)-N-methylpiperidin-4-amine?
acetaldehyde;1-cyclohexyl-N-(4-fluorophenyl)-N-methylpiperidin-4-amine has a molecular weight of 334.48 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;1-cyclohexyl-N-(4-fluorophenyl)-N-methylpiperidin-4-amine is sourced from PubChem (CID 143303357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).