4-amino-1-(2-iminopiperidin-1-yl)butan-1-ol

C9H19N3O — CID 174336790

IUPAC4-amino-1-(2-iminopiperidin-1-yl)butan-1-ol
SMILES[H]/N=C1\CCCCN1C(O)CCCN
InChIInChI=1S/C9H19N3O/c10-6-3-5-9(13)12-7-2-1-4-8(12)11/h9,11,13H,1-7,10H2/b11-8+
InChIKeyKKEQVMMOYZTFQO-DHZHZOJOSA-N
MW185.27 g/mol
LogP0.51
Rot. Bonds4

About 4-amino-1-(2-iminopiperidin-1-yl)butan-1-ol

4-amino-1-(2-iminopiperidin-1-yl)butan-1-ol (PubChem CID 174336790) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 4-amino-1-(2-iminopiperidin-1-yl)butan-1-ol.

Molecular Properties

Compound Name4-amino-1-(2-iminopiperidin-1-yl)butan-1-ol
PubChem CID174336790
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name4-amino-1-(2-iminopiperidin-1-yl)butan-1-ol
SMILES[H]/N=C1\CCCCN1C(O)CCCN
InChIInChI=1S/C9H19N3O/c10-6-3-5-9(13)12-7-2-1-4-8(12)11/h9,11,13H,1-7,10H2/b11-8+
InChIKeyKKEQVMMOYZTFQO-DHZHZOJOSA-N
XLogP0.51
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-iminopiperidin-1-yl)butan-1-ol?
The IUPAC name of 4-amino-1-(2-iminopiperidin-1-yl)butan-1-ol (CID 174336790) is 4-amino-1-(2-iminopiperidin-1-yl)butan-1-ol.
What is the SMILES notation for 4-amino-1-(2-iminopiperidin-1-yl)butan-1-ol?
The canonical SMILES for 4-amino-1-(2-iminopiperidin-1-yl)butan-1-ol is [H]/N=C1\CCCCN1C(O)CCCN.
What is the InChIKey of 4-amino-1-(2-iminopiperidin-1-yl)butan-1-ol?
The InChIKey is KKEQVMMOYZTFQO-DHZHZOJOSA-N. The full InChI is InChI=1S/C9H19N3O/c10-6-3-5-9(13)12-7-2-1-4-8(12)11/h9,11,13H,1-7,10H2/b11-8+.
What are the key properties of 4-amino-1-(2-iminopiperidin-1-yl)butan-1-ol?
4-amino-1-(2-iminopiperidin-1-yl)butan-1-ol has a molecular weight of 185.27 g/mol, XLogP of 0.51, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-iminopiperidin-1-yl)butan-1-ol is sourced from PubChem (CID 174336790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).