hex-1-ene;1-phenylpiperidine-2-carbaldehyde

C18H27NO — CID 174454912

IUPAChex-1-ene;1-phenylpiperidine-2-carbaldehyde
SMILESC=CCCCC.O=CC1CCCCN1c1ccccc1
InChIInChI=1S/C12H15NO.C6H12/c14-10-12-8-4-5-9-13(12)11-6-2-1-3-7-11;1-3-5-6-4-2/h1-3,6-7,10,12H,4-5,8-9H2;3H,1,4-6H2,2H3
InChIKeyCZXYNEKYIHBPTC-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.61
Rot. Bonds5

About hex-1-ene;1-phenylpiperidine-2-carbaldehyde

hex-1-ene;1-phenylpiperidine-2-carbaldehyde (PubChem CID 174454912) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is hex-1-ene;1-phenylpiperidine-2-carbaldehyde.

Molecular Properties

Compound Namehex-1-ene;1-phenylpiperidine-2-carbaldehyde
PubChem CID174454912
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Namehex-1-ene;1-phenylpiperidine-2-carbaldehyde
SMILESC=CCCCC.O=CC1CCCCN1c1ccccc1
InChIInChI=1S/C12H15NO.C6H12/c14-10-12-8-4-5-9-13(12)11-6-2-1-3-7-11;1-3-5-6-4-2/h1-3,6-7,10,12H,4-5,8-9H2;3H,1,4-6H2,2H3
InChIKeyCZXYNEKYIHBPTC-UHFFFAOYSA-N
XLogP4.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hex-1-ene;1-phenylpiperidine-2-carbaldehyde?
The IUPAC name of hex-1-ene;1-phenylpiperidine-2-carbaldehyde (CID 174454912) is hex-1-ene;1-phenylpiperidine-2-carbaldehyde.
What is the SMILES notation for hex-1-ene;1-phenylpiperidine-2-carbaldehyde?
The canonical SMILES for hex-1-ene;1-phenylpiperidine-2-carbaldehyde is C=CCCCC.O=CC1CCCCN1c1ccccc1.
What is the InChIKey of hex-1-ene;1-phenylpiperidine-2-carbaldehyde?
The InChIKey is CZXYNEKYIHBPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO.C6H12/c14-10-12-8-4-5-9-13(12)11-6-2-1-3-7-11;1-3-5-6-4-2/h1-3,6-7,10,12H,4-5,8-9H2;3H,1,4-6H2,2H3.
What are the key properties of hex-1-ene;1-phenylpiperidine-2-carbaldehyde?
hex-1-ene;1-phenylpiperidine-2-carbaldehyde has a molecular weight of 273.42 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hex-1-ene;1-phenylpiperidine-2-carbaldehyde is sourced from PubChem (CID 174454912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).