acetaldehyde;1-cyclohexyl-4-[[4-[(4-propan-2-ylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]piperidine

C26H46N4O — CID 155740847

IUPACacetaldehyde;1-cyclohexyl-4-[[4-[(4-propan-2-ylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]piperidine
SMILESCC(C)c1cnn(CC2CCN(CC3CCN(C4CCCCC4)CC3)CC2)c1.CC=O
InChIInChI=1S/C24H42N4.C2H4O/c1-20(2)23-16-25-28(19-23)18-22-8-12-26(13-9-22)17-21-10-14-27(15-11-21)24-6-4-3-5-7-24;1-2-3/h16,19-22,24H,3-15,17-18H2,1-2H3;2H,1H3
InChIKeyVMWDMXBVCNXPDH-UHFFFAOYSA-N
MW430.68 g/mol
LogP4.97
Rot. Bonds6

About acetaldehyde;1-cyclohexyl-4-[[4-[(4-propan-2-ylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]piperidine

acetaldehyde;1-cyclohexyl-4-[[4-[(4-propan-2-ylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]piperidine (PubChem CID 155740847) has the molecular formula C26H46N4O and a molecular weight of 430.68 g/mol. Its IUPAC name is acetaldehyde;1-cyclohexyl-4-[[4-[(4-propan-2-ylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]piperidine.

Molecular Properties

Compound Nameacetaldehyde;1-cyclohexyl-4-[[4-[(4-propan-2-ylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]piperidine
PubChem CID155740847
Molecular FormulaC26H46N4O
Molecular Weight430.68 g/mol
Exact Mass430.37
IUPAC Nameacetaldehyde;1-cyclohexyl-4-[[4-[(4-propan-2-ylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]piperidine
SMILESCC(C)c1cnn(CC2CCN(CC3CCN(C4CCCCC4)CC3)CC2)c1.CC=O
InChIInChI=1S/C24H42N4.C2H4O/c1-20(2)23-16-25-28(19-23)18-22-8-12-26(13-9-22)17-21-10-14-27(15-11-21)24-6-4-3-5-7-24;1-2-3/h16,19-22,24H,3-15,17-18H2,1-2H3;2H,1H3
InChIKeyVMWDMXBVCNXPDH-UHFFFAOYSA-N
XLogP4.97
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.68
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

acetaldehyde;1-(5-cyclohexylpentyl)-4-[(4-propan-2-ylpyrazol-1-yl)methyl]piperidine;ethane
CID 163401356
2-methyl-8-[4-[[4-[(4-propan-2-ylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]piperidin-1-yl]octan-4-one
CID 155740126
1-[1-(cyclohexylmethyl)pyrazol-4-yl]ethanol
CID 62729638
1-cyclohexyl-4-(4-propan-2-ylpyrazol-1-yl)piperidine;N-methylpropan-2-amine
CID 155739616
propanal;4-[(4-propan-2-ylpyrazol-1-yl)methyl]-1-[[4-(3-propylcyclobutyl)phenyl]methyl]piperidine
CID 163401657
2-methyl-1-[4-[4-[[4-[(4-propan-2-ylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]phenyl]phenyl]propan-1-one
CID 155739719
2-methyl-1-[4-[5-[4-[(4-propan-2-ylpyrazol-1-yl)methyl]piperidin-1-yl]pentyl]cyclohexyl]prop-2-en-1-one
CID 155404637
1-[4-(4,4-dimethylpentoxy)butyl]-4-[(4-propan-2-ylpyrazol-1-yl)methyl]piperidine
CID 167418152
3-methyl-1-[4-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]cyclohexyl]butan-2-one
CID 167386802
1-(3-methylbutyl)-4-[(4-methylpyrazol-1-yl)methyl]piperidine
CID 153390633
N-[[4-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]cyclohexyl]methyl]propan-2-amine
CID 155740125
N-methyl-N-(3-methylbutyl)-4-[(4-propan-2-ylpyrazol-1-yl)methyl]cyclohexan-1-amine
CID 166016864

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;1-cyclohexyl-4-[[4-[(4-propan-2-ylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]piperidine?
The IUPAC name of acetaldehyde;1-cyclohexyl-4-[[4-[(4-propan-2-ylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]piperidine (CID 155740847) is acetaldehyde;1-cyclohexyl-4-[[4-[(4-propan-2-ylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]piperidine.
What is the SMILES notation for acetaldehyde;1-cyclohexyl-4-[[4-[(4-propan-2-ylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]piperidine?
The canonical SMILES for acetaldehyde;1-cyclohexyl-4-[[4-[(4-propan-2-ylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]piperidine is CC(C)c1cnn(CC2CCN(CC3CCN(C4CCCCC4)CC3)CC2)c1.CC=O.
What is the InChIKey of acetaldehyde;1-cyclohexyl-4-[[4-[(4-propan-2-ylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]piperidine?
The InChIKey is VMWDMXBVCNXPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N4.C2H4O/c1-20(2)23-16-25-28(19-23)18-22-8-12-26(13-9-22)17-21-10-14-27(15-11-21)24-6-4-3-5-7-24;1-2-3/h16,19-22,24H,3-15,17-18H2,1-2H3;2H,1H3.
What are the key properties of acetaldehyde;1-cyclohexyl-4-[[4-[(4-propan-2-ylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]piperidine?
acetaldehyde;1-cyclohexyl-4-[[4-[(4-propan-2-ylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]piperidine has a molecular weight of 430.68 g/mol, XLogP of 4.97, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;1-cyclohexyl-4-[[4-[(4-propan-2-ylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]piperidine is sourced from PubChem (CID 155740847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).