2-(4-piperidin-4-yloxyphenyl)acetaldehyde

C13H17NO2 — CID 90039130

IUPAC2-(4-piperidin-4-yloxyphenyl)acetaldehyde
SMILESO=CCc1ccc(OC2CCNCC2)cc1
InChIInChI=1S/C13H17NO2/c15-10-7-11-1-3-12(4-2-11)16-13-5-8-14-9-6-13/h1-4,10,13-14H,5-9H2
InChIKeyUCINVNVWWJHBAD-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.56
Rot. Bonds4

About 2-(4-piperidin-4-yloxyphenyl)acetaldehyde

2-(4-piperidin-4-yloxyphenyl)acetaldehyde (PubChem CID 90039130) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-(4-piperidin-4-yloxyphenyl)acetaldehyde.

Molecular Properties

Compound Name2-(4-piperidin-4-yloxyphenyl)acetaldehyde
PubChem CID90039130
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-(4-piperidin-4-yloxyphenyl)acetaldehyde
SMILESO=CCc1ccc(OC2CCNCC2)cc1
InChIInChI=1S/C13H17NO2/c15-10-7-11-1-3-12(4-2-11)16-13-5-8-14-9-6-13/h1-4,10,13-14H,5-9H2
InChIKeyUCINVNVWWJHBAD-UHFFFAOYSA-N
XLogP1.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-piperidin-4-yloxyphenyl)acetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-piperidin-4-yloxyphenyl)propanoic acid;hydrochloride
CID 68915059
4-(4-iodophenoxy)piperidine
CID 53409910
ethane;N-[2-[2-(4-piperidin-4-yloxyphenyl)ethoxy]ethyl]formamide
CID 143792062
1-cyclopropyloxy-4-prop-2-enylbenzene
CID 114520509
2-(6-piperidin-4-yloxynaphthalen-2-yl)acetic acid
CID 170886812
4-[4-(difluoromethoxy)phenoxy]piperidine
CID 86685910
4-(4-propan-2-yloxyphenoxy)piperidine
CID 89453291
4-[[4-(thian-4-yloxy)phenyl]methyl]piperidine
CID 117471005
4-(4-nitrophenoxy)piperidine;hydrochloride
CID 22591401
methyl 3-[4-(azepan-4-yloxy)phenyl]propanoate
CID 117095090
1-(4-cyclopropyloxyphenyl)-2-piperidin-4-yloxyethanone
CID 114520610
4-(4-chlorophenoxy)azepane
CID 63904264

Frequently Asked Questions

What is the IUPAC name of 2-(4-piperidin-4-yloxyphenyl)acetaldehyde?
The IUPAC name of 2-(4-piperidin-4-yloxyphenyl)acetaldehyde (CID 90039130) is 2-(4-piperidin-4-yloxyphenyl)acetaldehyde.
What is the SMILES notation for 2-(4-piperidin-4-yloxyphenyl)acetaldehyde?
The canonical SMILES for 2-(4-piperidin-4-yloxyphenyl)acetaldehyde is O=CCc1ccc(OC2CCNCC2)cc1.
What is the InChIKey of 2-(4-piperidin-4-yloxyphenyl)acetaldehyde?
The InChIKey is UCINVNVWWJHBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c15-10-7-11-1-3-12(4-2-11)16-13-5-8-14-9-6-13/h1-4,10,13-14H,5-9H2.
What are the key properties of 2-(4-piperidin-4-yloxyphenyl)acetaldehyde?
2-(4-piperidin-4-yloxyphenyl)acetaldehyde has a molecular weight of 219.28 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-piperidin-4-yloxyphenyl)acetaldehyde is sourced from PubChem (CID 90039130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).