2-[4-(4-chlorophenoxy)piperidin-1-yl]-4-methylpyridine-3-carbaldehyde

C18H19ClN2O2 — CID 88880056

IUPAC2-[4-(4-chlorophenoxy)piperidin-1-yl]-4-methylpyridine-3-carbaldehyde
SMILESCc1ccnc(N2CCC(Oc3ccc(Cl)cc3)CC2)c1C=O
InChIInChI=1S/C18H19ClN2O2/c1-13-6-9-20-18(17(13)12-22)21-10-7-16(8-11-21)23-15-4-2-14(19)3-5-15/h2-6,9,12,16H,7-8,10-11H2,1H3
InChIKeyOAPOLYRQZPBJQF-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.90
Rot. Bonds4

About 2-[4-(4-chlorophenoxy)piperidin-1-yl]-4-methylpyridine-3-carbaldehyde

2-[4-(4-chlorophenoxy)piperidin-1-yl]-4-methylpyridine-3-carbaldehyde (PubChem CID 88880056) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 2-[4-(4-chlorophenoxy)piperidin-1-yl]-4-methylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-[4-(4-chlorophenoxy)piperidin-1-yl]-4-methylpyridine-3-carbaldehyde
PubChem CID88880056
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name2-[4-(4-chlorophenoxy)piperidin-1-yl]-4-methylpyridine-3-carbaldehyde
SMILESCc1ccnc(N2CCC(Oc3ccc(Cl)cc3)CC2)c1C=O
InChIInChI=1S/C18H19ClN2O2/c1-13-6-9-20-18(17(13)12-22)21-10-7-16(8-11-21)23-15-4-2-14(19)3-5-15/h2-6,9,12,16H,7-8,10-11H2,1H3
InChIKeyOAPOLYRQZPBJQF-UHFFFAOYSA-N
XLogP3.90
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenoxy)piperidin-1-yl]-4-methylpyridine-3-carbaldehyde?
The IUPAC name of 2-[4-(4-chlorophenoxy)piperidin-1-yl]-4-methylpyridine-3-carbaldehyde (CID 88880056) is 2-[4-(4-chlorophenoxy)piperidin-1-yl]-4-methylpyridine-3-carbaldehyde.
What is the SMILES notation for 2-[4-(4-chlorophenoxy)piperidin-1-yl]-4-methylpyridine-3-carbaldehyde?
The canonical SMILES for 2-[4-(4-chlorophenoxy)piperidin-1-yl]-4-methylpyridine-3-carbaldehyde is Cc1ccnc(N2CCC(Oc3ccc(Cl)cc3)CC2)c1C=O.
What is the InChIKey of 2-[4-(4-chlorophenoxy)piperidin-1-yl]-4-methylpyridine-3-carbaldehyde?
The InChIKey is OAPOLYRQZPBJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-13-6-9-20-18(17(13)12-22)21-10-7-16(8-11-21)23-15-4-2-14(19)3-5-15/h2-6,9,12,16H,7-8,10-11H2,1H3.
What are the key properties of 2-[4-(4-chlorophenoxy)piperidin-1-yl]-4-methylpyridine-3-carbaldehyde?
2-[4-(4-chlorophenoxy)piperidin-1-yl]-4-methylpyridine-3-carbaldehyde has a molecular weight of 330.82 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenoxy)piperidin-1-yl]-4-methylpyridine-3-carbaldehyde is sourced from PubChem (CID 88880056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).