2-[piperidin-4-yl(propyl)amino]acetaldehyde

C10H20N2O — CID 62031267

IUPAC2-[piperidin-4-yl(propyl)amino]acetaldehyde
SMILESCCCN(CC=O)C1CCNCC1
InChIInChI=1S/C10H20N2O/c1-2-7-12(8-9-13)10-3-5-11-6-4-10/h9-11H,2-8H2,1H3
InChIKeyMVRPKWKHTUDHNV-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.65
Rot. Bonds5

About 2-[piperidin-4-yl(propyl)amino]acetaldehyde

2-[piperidin-4-yl(propyl)amino]acetaldehyde (PubChem CID 62031267) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-[piperidin-4-yl(propyl)amino]acetaldehyde.

Molecular Properties

Compound Name2-[piperidin-4-yl(propyl)amino]acetaldehyde
PubChem CID62031267
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name2-[piperidin-4-yl(propyl)amino]acetaldehyde
SMILESCCCN(CC=O)C1CCNCC1
InChIInChI=1S/C10H20N2O/c1-2-7-12(8-9-13)10-3-5-11-6-4-10/h9-11H,2-8H2,1H3
InChIKeyMVRPKWKHTUDHNV-UHFFFAOYSA-N
XLogP0.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[piperidin-4-yl(propyl)amino]acetaldehyde?
The IUPAC name of 2-[piperidin-4-yl(propyl)amino]acetaldehyde (CID 62031267) is 2-[piperidin-4-yl(propyl)amino]acetaldehyde.
What is the SMILES notation for 2-[piperidin-4-yl(propyl)amino]acetaldehyde?
The canonical SMILES for 2-[piperidin-4-yl(propyl)amino]acetaldehyde is CCCN(CC=O)C1CCNCC1.
What is the InChIKey of 2-[piperidin-4-yl(propyl)amino]acetaldehyde?
The InChIKey is MVRPKWKHTUDHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-2-7-12(8-9-13)10-3-5-11-6-4-10/h9-11H,2-8H2,1H3.
What are the key properties of 2-[piperidin-4-yl(propyl)amino]acetaldehyde?
2-[piperidin-4-yl(propyl)amino]acetaldehyde has a molecular weight of 184.28 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[piperidin-4-yl(propyl)amino]acetaldehyde is sourced from PubChem (CID 62031267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).