2-(1-methylpiperidin-4-yl)-2-phenylacetaldehyde

C14H19NO — CID 105471541

IUPAC2-(1-methylpiperidin-4-yl)-2-phenylacetaldehyde
SMILESCN1CCC(C(C=O)c2ccccc2)CC1
InChIInChI=1S/C14H19NO/c1-15-9-7-13(8-10-15)14(11-16)12-5-3-2-4-6-12/h2-6,11,13-14H,7-10H2,1H3
InChIKeyHCTFEJHGXXNZGR-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.31
Rot. Bonds3

About 2-(1-methylpiperidin-4-yl)-2-phenylacetaldehyde

2-(1-methylpiperidin-4-yl)-2-phenylacetaldehyde (PubChem CID 105471541) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-yl)-2-phenylacetaldehyde.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-yl)-2-phenylacetaldehyde
PubChem CID105471541
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name2-(1-methylpiperidin-4-yl)-2-phenylacetaldehyde
SMILESCN1CCC(C(C=O)c2ccccc2)CC1
InChIInChI=1S/C14H19NO/c1-15-9-7-13(8-10-15)14(11-16)12-5-3-2-4-6-12/h2-6,11,13-14H,7-10H2,1H3
InChIKeyHCTFEJHGXXNZGR-UHFFFAOYSA-N
XLogP2.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(1-methylpiperidin-4-yl)-2-phenylacetaldehyde?
The IUPAC name of 2-(1-methylpiperidin-4-yl)-2-phenylacetaldehyde (CID 105471541) is 2-(1-methylpiperidin-4-yl)-2-phenylacetaldehyde.
What is the SMILES notation for 2-(1-methylpiperidin-4-yl)-2-phenylacetaldehyde?
The canonical SMILES for 2-(1-methylpiperidin-4-yl)-2-phenylacetaldehyde is CN1CCC(C(C=O)c2ccccc2)CC1.
What is the InChIKey of 2-(1-methylpiperidin-4-yl)-2-phenylacetaldehyde?
The InChIKey is HCTFEJHGXXNZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-15-9-7-13(8-10-15)14(11-16)12-5-3-2-4-6-12/h2-6,11,13-14H,7-10H2,1H3.
What are the key properties of 2-(1-methylpiperidin-4-yl)-2-phenylacetaldehyde?
2-(1-methylpiperidin-4-yl)-2-phenylacetaldehyde has a molecular weight of 217.31 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-4-yl)-2-phenylacetaldehyde is sourced from PubChem (CID 105471541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).