1-(4-morpholin-4-ylphenyl)cyclopentane-1-carbaldehyde

C16H21NO2 — CID 117047492

IUPAC1-(4-morpholin-4-ylphenyl)cyclopentane-1-carbaldehyde
SMILESO=CC1(c2ccc(N3CCOCC3)cc2)CCCC1
InChIInChI=1S/C16H21NO2/c18-13-16(7-1-2-8-16)14-3-5-15(6-4-14)17-9-11-19-12-10-17/h3-6,13H,1-2,7-12H2
InChIKeyAZYFZQIRRYJKCT-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.53
Rot. Bonds3

About 1-(4-morpholin-4-ylphenyl)cyclopentane-1-carbaldehyde

1-(4-morpholin-4-ylphenyl)cyclopentane-1-carbaldehyde (PubChem CID 117047492) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-(4-morpholin-4-ylphenyl)cyclopentane-1-carbaldehyde.

Molecular Properties

Compound Name1-(4-morpholin-4-ylphenyl)cyclopentane-1-carbaldehyde
PubChem CID117047492
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name1-(4-morpholin-4-ylphenyl)cyclopentane-1-carbaldehyde
SMILESO=CC1(c2ccc(N3CCOCC3)cc2)CCCC1
InChIInChI=1S/C16H21NO2/c18-13-16(7-1-2-8-16)14-3-5-15(6-4-14)17-9-11-19-12-10-17/h3-6,13H,1-2,7-12H2
InChIKeyAZYFZQIRRYJKCT-UHFFFAOYSA-N
XLogP2.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-morpholin-4-ylphenyl)-1,3-oxazolidine-2-carbaldehyde
CID 174432065
4-(4-pyrrolidin-1-ylphenyl)morpholine
CID 67305085
1-(4-bromophenyl)cyclohexane-1-carbaldehyde
CID 82133968
1-phenylcyclohexane-1-carbaldehyde
CID 14922606
1-(4-methoxyphenyl)cyclohexane-1-carbaldehyde
CID 23587235
4-[4-[2-(4-morpholin-4-ylphenyl)ethenyl]phenyl]morpholine
CID 141350180
1-methyl-N-[(4-morpholin-4-ylphenyl)methyl]cyclobutan-1-amine
CID 115765831
4-(4-iodophenyl)-1,4-oxazepane
CID 121246914
13-[4-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]phenyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102533214
4-(4-morpholin-4-ylphenyl)piperazine-2,6-dione
CID 63787858
1-[4-[4-(4-morpholin-4-ylphenyl)piperazin-1-yl]phenyl]ethanone
CID 20729332
1-[[(4-morpholin-4-ylbenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544308

Frequently Asked Questions

What is the IUPAC name of 1-(4-morpholin-4-ylphenyl)cyclopentane-1-carbaldehyde?
The IUPAC name of 1-(4-morpholin-4-ylphenyl)cyclopentane-1-carbaldehyde (CID 117047492) is 1-(4-morpholin-4-ylphenyl)cyclopentane-1-carbaldehyde.
What is the SMILES notation for 1-(4-morpholin-4-ylphenyl)cyclopentane-1-carbaldehyde?
The canonical SMILES for 1-(4-morpholin-4-ylphenyl)cyclopentane-1-carbaldehyde is O=CC1(c2ccc(N3CCOCC3)cc2)CCCC1.
What is the InChIKey of 1-(4-morpholin-4-ylphenyl)cyclopentane-1-carbaldehyde?
The InChIKey is AZYFZQIRRYJKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c18-13-16(7-1-2-8-16)14-3-5-15(6-4-14)17-9-11-19-12-10-17/h3-6,13H,1-2,7-12H2.
What are the key properties of 1-(4-morpholin-4-ylphenyl)cyclopentane-1-carbaldehyde?
1-(4-morpholin-4-ylphenyl)cyclopentane-1-carbaldehyde has a molecular weight of 259.35 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-morpholin-4-ylphenyl)cyclopentane-1-carbaldehyde is sourced from PubChem (CID 117047492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).