1-[4-(butylamino)piperidin-1-yl]ethanone

C11H22N2O — CID 43222705

IUPAC1-[4-(butylamino)piperidin-1-yl]ethanone
SMILESCCCCNC1CCN(C(C)=O)CC1
InChIInChI=1S/C11H22N2O/c1-3-4-7-12-11-5-8-13(9-6-11)10(2)14/h11-12H,3-9H2,1-2H3
InChIKeyIKFHBSMRCSXPRN-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.39
Rot. Bonds4

About 1-[4-(butylamino)piperidin-1-yl]ethanone

1-[4-(butylamino)piperidin-1-yl]ethanone (PubChem CID 43222705) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-[4-(butylamino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(butylamino)piperidin-1-yl]ethanone
PubChem CID43222705
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-[4-(butylamino)piperidin-1-yl]ethanone
SMILESCCCCNC1CCN(C(C)=O)CC1
InChIInChI=1S/C11H22N2O/c1-3-4-7-12-11-5-8-13(9-6-11)10(2)14/h11-12H,3-9H2,1-2H3
InChIKeyIKFHBSMRCSXPRN-UHFFFAOYSA-N
XLogP1.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(butylamino)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(butylamino)piperidin-1-yl]ethanone (CID 43222705) is 1-[4-(butylamino)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(butylamino)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(butylamino)piperidin-1-yl]ethanone is CCCCNC1CCN(C(C)=O)CC1.
What is the InChIKey of 1-[4-(butylamino)piperidin-1-yl]ethanone?
The InChIKey is IKFHBSMRCSXPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-3-4-7-12-11-5-8-13(9-6-11)10(2)14/h11-12H,3-9H2,1-2H3.
What are the key properties of 1-[4-(butylamino)piperidin-1-yl]ethanone?
1-[4-(butylamino)piperidin-1-yl]ethanone has a molecular weight of 198.31 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(butylamino)piperidin-1-yl]ethanone is sourced from PubChem (CID 43222705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).