3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]oxane-3-carbaldehyde

C17H30N2O2 — CID 63741678

IUPAC3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]oxane-3-carbaldehyde
SMILESO=CC1(CN2CCC(N3CCCCC3)CC2)CCCOC1
InChIInChI=1S/C17H30N2O2/c20-14-17(7-4-12-21-15-17)13-18-10-5-16(6-11-18)19-8-2-1-3-9-19/h14,16H,1-13,15H2
InChIKeyRHAODCKAOYMGES-UHFFFAOYSA-N
MW294.44 g/mol
LogP1.93
Rot. Bonds4

About 3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]oxane-3-carbaldehyde

3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]oxane-3-carbaldehyde (PubChem CID 63741678) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]oxane-3-carbaldehyde.

Molecular Properties

Compound Name3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]oxane-3-carbaldehyde
PubChem CID63741678
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]oxane-3-carbaldehyde
SMILESO=CC1(CN2CCC(N3CCCCC3)CC2)CCCOC1
InChIInChI=1S/C17H30N2O2/c20-14-17(7-4-12-21-15-17)13-18-10-5-16(6-11-18)19-8-2-1-3-9-19/h14,16H,1-13,15H2
InChIKeyRHAODCKAOYMGES-UHFFFAOYSA-N
XLogP1.93
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]oxane-3-carbaldehyde 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 3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]oxane-3-carbaldehyde?
The IUPAC name of 3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]oxane-3-carbaldehyde (CID 63741678) is 3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]oxane-3-carbaldehyde.
What is the SMILES notation for 3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]oxane-3-carbaldehyde?
The canonical SMILES for 3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]oxane-3-carbaldehyde is O=CC1(CN2CCC(N3CCCCC3)CC2)CCCOC1.
What is the InChIKey of 3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]oxane-3-carbaldehyde?
The InChIKey is RHAODCKAOYMGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c20-14-17(7-4-12-21-15-17)13-18-10-5-16(6-11-18)19-8-2-1-3-9-19/h14,16H,1-13,15H2.
What are the key properties of 3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]oxane-3-carbaldehyde?
3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]oxane-3-carbaldehyde has a molecular weight of 294.44 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]oxane-3-carbaldehyde is sourced from PubChem (CID 63741678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).