4-(1-propylpiperidin-4-yl)butanal

C12H23NO — CID 87600014

IUPAC4-(1-propylpiperidin-4-yl)butanal
SMILESCCCN1CCC(CCCC=O)CC1
InChIInChI=1S/C12H23NO/c1-2-8-13-9-6-12(7-10-13)5-3-4-11-14/h11-12H,2-10H2,1H3
InChIKeyCYFSEJHCDSNBEB-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.48
Rot. Bonds6

About 4-(1-propylpiperidin-4-yl)butanal

4-(1-propylpiperidin-4-yl)butanal (PubChem CID 87600014) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 4-(1-propylpiperidin-4-yl)butanal.

Molecular Properties

Compound Name4-(1-propylpiperidin-4-yl)butanal
PubChem CID87600014
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name4-(1-propylpiperidin-4-yl)butanal
SMILESCCCN1CCC(CCCC=O)CC1
InChIInChI=1S/C12H23NO/c1-2-8-13-9-6-12(7-10-13)5-3-4-11-14/h11-12H,2-10H2,1H3
InChIKeyCYFSEJHCDSNBEB-UHFFFAOYSA-N
XLogP2.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-propylpiperidin-4-yl)butanal?
The IUPAC name of 4-(1-propylpiperidin-4-yl)butanal (CID 87600014) is 4-(1-propylpiperidin-4-yl)butanal.
What is the SMILES notation for 4-(1-propylpiperidin-4-yl)butanal?
The canonical SMILES for 4-(1-propylpiperidin-4-yl)butanal is CCCN1CCC(CCCC=O)CC1.
What is the InChIKey of 4-(1-propylpiperidin-4-yl)butanal?
The InChIKey is CYFSEJHCDSNBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-2-8-13-9-6-12(7-10-13)5-3-4-11-14/h11-12H,2-10H2,1H3.
What are the key properties of 4-(1-propylpiperidin-4-yl)butanal?
4-(1-propylpiperidin-4-yl)butanal has a molecular weight of 197.32 g/mol, XLogP of 2.48, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-propylpiperidin-4-yl)butanal is sourced from PubChem (CID 87600014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).