1-[5-methyl-2-(methylamino)phenyl]-4-piperidin-1-ylcyclohexane-1-carbaldehyde

C20H30N2O — CID 142322571

IUPAC1-[5-methyl-2-(methylamino)phenyl]-4-piperidin-1-ylcyclohexane-1-carbaldehyde
SMILESCNc1ccc(C)cc1C1(C=O)CCC(N2CCCCC2)CC1
InChIInChI=1S/C20H30N2O/c1-16-6-7-19(21-2)18(14-16)20(15-23)10-8-17(9-11-20)22-12-4-3-5-13-22/h6-7,14-15,17,21H,3-5,8-13H2,1-2H3
InChIKeyYTWKPDVUQROYKP-UHFFFAOYSA-N
MW314.47 g/mol
LogP3.90
Rot. Bonds4

About 1-[5-methyl-2-(methylamino)phenyl]-4-piperidin-1-ylcyclohexane-1-carbaldehyde

1-[5-methyl-2-(methylamino)phenyl]-4-piperidin-1-ylcyclohexane-1-carbaldehyde (PubChem CID 142322571) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is 1-[5-methyl-2-(methylamino)phenyl]-4-piperidin-1-ylcyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name1-[5-methyl-2-(methylamino)phenyl]-4-piperidin-1-ylcyclohexane-1-carbaldehyde
PubChem CID142322571
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Name1-[5-methyl-2-(methylamino)phenyl]-4-piperidin-1-ylcyclohexane-1-carbaldehyde
SMILESCNc1ccc(C)cc1C1(C=O)CCC(N2CCCCC2)CC1
InChIInChI=1S/C20H30N2O/c1-16-6-7-19(21-2)18(14-16)20(15-23)10-8-17(9-11-20)22-12-4-3-5-13-22/h6-7,14-15,17,21H,3-5,8-13H2,1-2H3
InChIKeyYTWKPDVUQROYKP-UHFFFAOYSA-N
XLogP3.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(5-methyl-2-phenylphenyl)cyclohexane-1-carbaldehyde
CID 155662947
1-(2-amino-4-methylphenyl)cyclopropane-1-carbaldehyde
CID 143152801
4-(2-amino-4-bromophenyl)-1-cyclopropylpiperidine-4-carbaldehyde
CID 166969268
1-cyclobutylpiperidine;4-methylbenzenethiol
CID 145497273
1-(2,4-dimethylphenyl)-4-pyrrolidin-1-ylpiperidine
CID 71106426
(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-[5-methyl-2-(methylamino)phenyl]methanone
CID 79934104
4-pyrrolidin-1-ylcyclohexane-1-carbaldehyde
CID 23088686
6-(3-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)-6-azaspiro[3.4]octane
CID 166872891
[1-cyclopropyl-4-(2,5-dimethylphenyl)piperidin-4-yl]methanamine
CID 82300752
3-methyl-7-pyrrolidin-1-yl-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 129130456
[2-(hydroxymethyl)azepan-1-yl]-[5-methyl-2-(methylamino)phenyl]methanone
CID 116637955
3-cyclopentyl-9-methyl-2,4,5,6-tetrahydro-1H-3-benzazocine;ethane
CID 143718969

Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-2-(methylamino)phenyl]-4-piperidin-1-ylcyclohexane-1-carbaldehyde?
The IUPAC name of 1-[5-methyl-2-(methylamino)phenyl]-4-piperidin-1-ylcyclohexane-1-carbaldehyde (CID 142322571) is 1-[5-methyl-2-(methylamino)phenyl]-4-piperidin-1-ylcyclohexane-1-carbaldehyde.
What is the SMILES notation for 1-[5-methyl-2-(methylamino)phenyl]-4-piperidin-1-ylcyclohexane-1-carbaldehyde?
The canonical SMILES for 1-[5-methyl-2-(methylamino)phenyl]-4-piperidin-1-ylcyclohexane-1-carbaldehyde is CNc1ccc(C)cc1C1(C=O)CCC(N2CCCCC2)CC1.
What is the InChIKey of 1-[5-methyl-2-(methylamino)phenyl]-4-piperidin-1-ylcyclohexane-1-carbaldehyde?
The InChIKey is YTWKPDVUQROYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O/c1-16-6-7-19(21-2)18(14-16)20(15-23)10-8-17(9-11-20)22-12-4-3-5-13-22/h6-7,14-15,17,21H,3-5,8-13H2,1-2H3.
What are the key properties of 1-[5-methyl-2-(methylamino)phenyl]-4-piperidin-1-ylcyclohexane-1-carbaldehyde?
1-[5-methyl-2-(methylamino)phenyl]-4-piperidin-1-ylcyclohexane-1-carbaldehyde has a molecular weight of 314.47 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-2-(methylamino)phenyl]-4-piperidin-1-ylcyclohexane-1-carbaldehyde is sourced from PubChem (CID 142322571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).