ethene;1-methyl-4-phenylpiperidine-4-carbaldehyde

C15H21NO — CID 143193860

IUPACethene;1-methyl-4-phenylpiperidine-4-carbaldehyde
SMILESC=C.CN1CCC(C=O)(c2ccccc2)CC1
InChIInChI=1S/C13H17NO.C2H4/c1-14-9-7-13(11-15,8-10-14)12-5-3-2-4-6-12;1-2/h2-6,11H,7-10H2,1H3;1-2H2
InChIKeySIZHRZHBTYXBHY-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.65
Rot. Bonds2

About ethene;1-methyl-4-phenylpiperidine-4-carbaldehyde

ethene;1-methyl-4-phenylpiperidine-4-carbaldehyde (PubChem CID 143193860) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is ethene;1-methyl-4-phenylpiperidine-4-carbaldehyde.

Molecular Properties

Compound Nameethene;1-methyl-4-phenylpiperidine-4-carbaldehyde
PubChem CID143193860
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Nameethene;1-methyl-4-phenylpiperidine-4-carbaldehyde
SMILESC=C.CN1CCC(C=O)(c2ccccc2)CC1
InChIInChI=1S/C13H17NO.C2H4/c1-14-9-7-13(11-15,8-10-14)12-5-3-2-4-6-12;1-2/h2-6,11H,7-10H2,1H3;1-2H2
InChIKeySIZHRZHBTYXBHY-UHFFFAOYSA-N
XLogP2.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-phenylcyclopropane-1-carbaldehyde
CID 11008055
1-benzhydryl-4-phenylpiperidine-4-carbaldehyde
CID 10428299
4-(2-hydroxyphenyl)-1-methylpiperidine-4-carbaldehyde
CID 88542986
1-phenylcyclohexane-1-carbaldehyde
CID 14922606
2-(4-formyl-4-phenylpiperidin-1-yl)propanenitrile
CID 3024909
1-(3-aminopropyl)-4-phenylpiperidine-4-carbaldehyde;dihydrochloride
CID 138397800
3-(4-formyl-4-phenylpiperidin-1-yl)propanenitrile
CID 21149882
1-methyl-4-(1-phenylcyclopropyl)piperazine
CID 137320313
ethane;1-(1-methyl-4-phenylpiperidin-4-yl)ethanone
CID 142234694
(3R)-3-phenyloxolane-3-carbaldehyde
CID 98041318
1-methyl-4-phenyl-4-propan-2-ylsulfonylpiperidine;hydrochloride
CID 3030578
ethane;1-(4-methylphenyl)cyclopropane-1-carbaldehyde
CID 143873127

Frequently Asked Questions

What is the IUPAC name of ethene;1-methyl-4-phenylpiperidine-4-carbaldehyde?
The IUPAC name of ethene;1-methyl-4-phenylpiperidine-4-carbaldehyde (CID 143193860) is ethene;1-methyl-4-phenylpiperidine-4-carbaldehyde.
What is the SMILES notation for ethene;1-methyl-4-phenylpiperidine-4-carbaldehyde?
The canonical SMILES for ethene;1-methyl-4-phenylpiperidine-4-carbaldehyde is C=C.CN1CCC(C=O)(c2ccccc2)CC1.
What is the InChIKey of ethene;1-methyl-4-phenylpiperidine-4-carbaldehyde?
The InChIKey is SIZHRZHBTYXBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO.C2H4/c1-14-9-7-13(11-15,8-10-14)12-5-3-2-4-6-12;1-2/h2-6,11H,7-10H2,1H3;1-2H2.
What are the key properties of ethene;1-methyl-4-phenylpiperidine-4-carbaldehyde?
ethene;1-methyl-4-phenylpiperidine-4-carbaldehyde has a molecular weight of 231.34 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;1-methyl-4-phenylpiperidine-4-carbaldehyde is sourced from PubChem (CID 143193860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).