1-[2-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]ethyl]cyclohexane-1-carbaldehyde

C20H31N3O — CID 89217716

IUPAC1-[2-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]ethyl]cyclohexane-1-carbaldehyde
SMILESCc1ccc(NC2CCN(CCC3(C=O)CCCCC3)CC2)nc1
InChIInChI=1S/C20H31N3O/c1-17-5-6-19(21-15-17)22-18-7-12-23(13-8-18)14-11-20(16-24)9-3-2-4-10-20/h5-6,15-16,18H,2-4,7-14H2,1H3,(H,21,22)
InChIKeyDFTKKYAVWYTHMA-UHFFFAOYSA-N
MW329.49 g/mol
LogP3.81
Rot. Bonds6

About 1-[2-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]ethyl]cyclohexane-1-carbaldehyde

1-[2-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]ethyl]cyclohexane-1-carbaldehyde (PubChem CID 89217716) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is 1-[2-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]ethyl]cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name1-[2-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]ethyl]cyclohexane-1-carbaldehyde
PubChem CID89217716
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC Name1-[2-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]ethyl]cyclohexane-1-carbaldehyde
SMILESCc1ccc(NC2CCN(CCC3(C=O)CCCCC3)CC2)nc1
InChIInChI=1S/C20H31N3O/c1-17-5-6-19(21-15-17)22-18-7-12-23(13-8-18)14-11-20(16-24)9-3-2-4-10-20/h5-6,15-16,18H,2-4,7-14H2,1H3,(H,21,22)
InChIKeyDFTKKYAVWYTHMA-UHFFFAOYSA-N
XLogP3.81
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[1-[2-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]ethyl]cyclohexyl]ethyl]furan-2-carboxylic acid
CID 91590904
2-[1-[2-[4-(4-methylanilino)piperidin-1-yl]ethyl]cyclohexyl]ethanol
CID 59714995
N-(5-methyl-2-pyridinyl)azepan-4-amine
CID 107173810
4-[(5-methyl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
CID 66279255
5-nitro-N-(1-propylpiperidin-4-yl)pyridin-2-amine
CID 60667091
4-N-(5-methyl-2-pyridinyl)cyclohexane-1,4-diamine;dihydrochloride
CID 86694119
sodium;5-chloro-2H-pyrimidin-2-ide;N-cyclopentyl-5-methylpyridin-2-amine;ethane
CID 177336089
4-N-tert-butyl-1-N-(5-methyl-2-pyridinyl)cyclohexane-1,4-diamine
CID 155222928
5-methyl-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine
CID 68833864
3-[[N'-methyl-N-(1-propylpiperidin-4-yl)carbamimidoyl]amino]-N-(5-methyl-2-pyridinyl)propanamide
CID 111018353
2-[4-[(5-fluoro-2-pyridinyl)amino]piperidin-1-yl]acetamide
CID 61311404
3-[[N'-methyl-N-(1-propylpiperidin-4-yl)carbamimidoyl]amino]-N-(5-methyl-2-pyridinyl)propanamide;hydroiodide
CID 111018352

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]ethyl]cyclohexane-1-carbaldehyde?
The IUPAC name of 1-[2-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]ethyl]cyclohexane-1-carbaldehyde (CID 89217716) is 1-[2-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]ethyl]cyclohexane-1-carbaldehyde.
What is the SMILES notation for 1-[2-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]ethyl]cyclohexane-1-carbaldehyde?
The canonical SMILES for 1-[2-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]ethyl]cyclohexane-1-carbaldehyde is Cc1ccc(NC2CCN(CCC3(C=O)CCCCC3)CC2)nc1.
What is the InChIKey of 1-[2-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]ethyl]cyclohexane-1-carbaldehyde?
The InChIKey is DFTKKYAVWYTHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O/c1-17-5-6-19(21-15-17)22-18-7-12-23(13-8-18)14-11-20(16-24)9-3-2-4-10-20/h5-6,15-16,18H,2-4,7-14H2,1H3,(H,21,22).
What are the key properties of 1-[2-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]ethyl]cyclohexane-1-carbaldehyde?
1-[2-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]ethyl]cyclohexane-1-carbaldehyde has a molecular weight of 329.49 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]ethyl]cyclohexane-1-carbaldehyde is sourced from PubChem (CID 89217716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).