2-[4-[5-(piperidin-4-ylmethoxy)-2-pyridinyl]phenyl]acetaldehyde;hydrochloride

C19H23ClN2O2 — CID 141382248

IUPAC2-[4-[5-(piperidin-4-ylmethoxy)-2-pyridinyl]phenyl]acetaldehyde;hydrochloride
SMILESCl.O=CCc1ccc(-c2ccc(OCC3CCNCC3)cn2)cc1
InChIInChI=1S/C19H22N2O2.ClH/c22-12-9-15-1-3-17(4-2-15)19-6-5-18(13-21-19)23-14-16-7-10-20-11-8-16;/h1-6,12-13,16,20H,7-11,14H2;1H
InChIKeySTUJXBCEJHFGMF-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.29
Rot. Bonds6

About 2-[4-[5-(piperidin-4-ylmethoxy)-2-pyridinyl]phenyl]acetaldehyde;hydrochloride

2-[4-[5-(piperidin-4-ylmethoxy)-2-pyridinyl]phenyl]acetaldehyde;hydrochloride (PubChem CID 141382248) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 2-[4-[5-(piperidin-4-ylmethoxy)-2-pyridinyl]phenyl]acetaldehyde;hydrochloride.

Molecular Properties

Compound Name2-[4-[5-(piperidin-4-ylmethoxy)-2-pyridinyl]phenyl]acetaldehyde;hydrochloride
PubChem CID141382248
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name2-[4-[5-(piperidin-4-ylmethoxy)-2-pyridinyl]phenyl]acetaldehyde;hydrochloride
SMILESCl.O=CCc1ccc(-c2ccc(OCC3CCNCC3)cn2)cc1
InChIInChI=1S/C19H22N2O2.ClH/c22-12-9-15-1-3-17(4-2-15)19-6-5-18(13-21-19)23-14-16-7-10-20-11-8-16;/h1-6,12-13,16,20H,7-11,14H2;1H
InChIKeySTUJXBCEJHFGMF-UHFFFAOYSA-N
XLogP3.29
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-[5-(piperidin-4-ylmethoxy)-2-pyridinyl]phenyl]acetaldehyde;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(piperidin-4-ylmethoxy)-2-pyridinyl]phenyl]acetaldehyde;hydrochloride?
The IUPAC name of 2-[4-[5-(piperidin-4-ylmethoxy)-2-pyridinyl]phenyl]acetaldehyde;hydrochloride (CID 141382248) is 2-[4-[5-(piperidin-4-ylmethoxy)-2-pyridinyl]phenyl]acetaldehyde;hydrochloride.
What is the SMILES notation for 2-[4-[5-(piperidin-4-ylmethoxy)-2-pyridinyl]phenyl]acetaldehyde;hydrochloride?
The canonical SMILES for 2-[4-[5-(piperidin-4-ylmethoxy)-2-pyridinyl]phenyl]acetaldehyde;hydrochloride is Cl.O=CCc1ccc(-c2ccc(OCC3CCNCC3)cn2)cc1.
What is the InChIKey of 2-[4-[5-(piperidin-4-ylmethoxy)-2-pyridinyl]phenyl]acetaldehyde;hydrochloride?
The InChIKey is STUJXBCEJHFGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2.ClH/c22-12-9-15-1-3-17(4-2-15)19-6-5-18(13-21-19)23-14-16-7-10-20-11-8-16;/h1-6,12-13,16,20H,7-11,14H2;1H.
What are the key properties of 2-[4-[5-(piperidin-4-ylmethoxy)-2-pyridinyl]phenyl]acetaldehyde;hydrochloride?
2-[4-[5-(piperidin-4-ylmethoxy)-2-pyridinyl]phenyl]acetaldehyde;hydrochloride has a molecular weight of 346.86 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(piperidin-4-ylmethoxy)-2-pyridinyl]phenyl]acetaldehyde;hydrochloride is sourced from PubChem (CID 141382248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).