4-(propan-2-ylamino)piperidine-1-carbaldehyde

C9H18N2O — CID 90863805

IUPAC4-(propan-2-ylamino)piperidine-1-carbaldehyde
SMILESCC(C)NC1CCN(C=O)CC1
InChIInChI=1S/C9H18N2O/c1-8(2)10-9-3-5-11(7-12)6-4-9/h7-10H,3-6H2,1-2H3
InChIKeyBVHFGTSCQSSNBN-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.61
Rot. Bonds3

About 4-(propan-2-ylamino)piperidine-1-carbaldehyde

4-(propan-2-ylamino)piperidine-1-carbaldehyde (PubChem CID 90863805) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 4-(propan-2-ylamino)piperidine-1-carbaldehyde.

Molecular Properties

Compound Name4-(propan-2-ylamino)piperidine-1-carbaldehyde
PubChem CID90863805
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name4-(propan-2-ylamino)piperidine-1-carbaldehyde
SMILESCC(C)NC1CCN(C=O)CC1
InChIInChI=1S/C9H18N2O/c1-8(2)10-9-3-5-11(7-12)6-4-9/h7-10H,3-6H2,1-2H3
InChIKeyBVHFGTSCQSSNBN-UHFFFAOYSA-N
XLogP0.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(propan-2-ylamino)piperidine-1-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 4-(propan-2-ylamino)piperidine-1-carbaldehyde?
The IUPAC name of 4-(propan-2-ylamino)piperidine-1-carbaldehyde (CID 90863805) is 4-(propan-2-ylamino)piperidine-1-carbaldehyde.
What is the SMILES notation for 4-(propan-2-ylamino)piperidine-1-carbaldehyde?
The canonical SMILES for 4-(propan-2-ylamino)piperidine-1-carbaldehyde is CC(C)NC1CCN(C=O)CC1.
What is the InChIKey of 4-(propan-2-ylamino)piperidine-1-carbaldehyde?
The InChIKey is BVHFGTSCQSSNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-8(2)10-9-3-5-11(7-12)6-4-9/h7-10H,3-6H2,1-2H3.
What are the key properties of 4-(propan-2-ylamino)piperidine-1-carbaldehyde?
4-(propan-2-ylamino)piperidine-1-carbaldehyde has a molecular weight of 170.26 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propan-2-ylamino)piperidine-1-carbaldehyde is sourced from PubChem (CID 90863805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).