4-methyl-4-phenylpiperidine-1-carbaldehyde;3-(2-methylphenyl)pyrrolidine

C24H32N2O — CID 143821648

IUPAC4-methyl-4-phenylpiperidine-1-carbaldehyde;3-(2-methylphenyl)pyrrolidine
SMILESCC1(c2ccccc2)CCN(C=O)CC1.Cc1ccccc1C1CCNC1
InChIInChI=1S/C13H17NO.C11H15N/c1-13(12-5-3-2-4-6-12)7-9-14(11-15)10-8-13;1-9-4-2-3-5-11(9)10-6-7-12-8-10/h2-6,11H,7-10H2,1H3;2-5,10,12H,6-8H2,1H3
InChIKeySBYZQEYRAIKELO-UHFFFAOYSA-N
MW364.53 g/mol
LogP4.27
Rot. Bonds3

About 4-methyl-4-phenylpiperidine-1-carbaldehyde;3-(2-methylphenyl)pyrrolidine

4-methyl-4-phenylpiperidine-1-carbaldehyde;3-(2-methylphenyl)pyrrolidine (PubChem CID 143821648) has the molecular formula C24H32N2O and a molecular weight of 364.53 g/mol. Its IUPAC name is 4-methyl-4-phenylpiperidine-1-carbaldehyde;3-(2-methylphenyl)pyrrolidine.

Molecular Properties

Compound Name4-methyl-4-phenylpiperidine-1-carbaldehyde;3-(2-methylphenyl)pyrrolidine
PubChem CID143821648
Molecular FormulaC24H32N2O
Molecular Weight364.53 g/mol
Exact Mass364.25
IUPAC Name4-methyl-4-phenylpiperidine-1-carbaldehyde;3-(2-methylphenyl)pyrrolidine
SMILESCC1(c2ccccc2)CCN(C=O)CC1.Cc1ccccc1C1CCNC1
InChIInChI=1S/C13H17NO.C11H15N/c1-13(12-5-3-2-4-6-12)7-9-14(11-15)10-8-13;1-9-4-2-3-5-11(9)10-6-7-12-8-10/h2-6,11H,7-10H2,1H3;2-5,10,12H,6-8H2,1H3
InChIKeySBYZQEYRAIKELO-UHFFFAOYSA-N
XLogP4.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-phenylpiperidine-1-carbaldehyde;3-(2-methylphenyl)pyrrolidine?
The IUPAC name of 4-methyl-4-phenylpiperidine-1-carbaldehyde;3-(2-methylphenyl)pyrrolidine (CID 143821648) is 4-methyl-4-phenylpiperidine-1-carbaldehyde;3-(2-methylphenyl)pyrrolidine.
What is the SMILES notation for 4-methyl-4-phenylpiperidine-1-carbaldehyde;3-(2-methylphenyl)pyrrolidine?
The canonical SMILES for 4-methyl-4-phenylpiperidine-1-carbaldehyde;3-(2-methylphenyl)pyrrolidine is CC1(c2ccccc2)CCN(C=O)CC1.Cc1ccccc1C1CCNC1.
What is the InChIKey of 4-methyl-4-phenylpiperidine-1-carbaldehyde;3-(2-methylphenyl)pyrrolidine?
The InChIKey is SBYZQEYRAIKELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO.C11H15N/c1-13(12-5-3-2-4-6-12)7-9-14(11-15)10-8-13;1-9-4-2-3-5-11(9)10-6-7-12-8-10/h2-6,11H,7-10H2,1H3;2-5,10,12H,6-8H2,1H3.
What are the key properties of 4-methyl-4-phenylpiperidine-1-carbaldehyde;3-(2-methylphenyl)pyrrolidine?
4-methyl-4-phenylpiperidine-1-carbaldehyde;3-(2-methylphenyl)pyrrolidine has a molecular weight of 364.53 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-phenylpiperidine-1-carbaldehyde;3-(2-methylphenyl)pyrrolidine is sourced from PubChem (CID 143821648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).