1-amino-3-(2-iminopiperidin-1-yl)butan-1-ol

C9H19N3O — CID 57189882

IUPAC1-amino-3-(2-iminopiperidin-1-yl)butan-1-ol
SMILES[H]/N=C1\CCCCN1C(C)CC(N)O
InChIInChI=1S/C9H19N3O/c1-7(6-9(11)13)12-5-3-2-4-8(12)10/h7,9-10,13H,2-6,11H2,1H3/b10-8+
InChIKeyCWTLFCORVUCLFF-CSKARUKUSA-N
MW185.27 g/mol
LogP0.51
Rot. Bonds3

About 1-amino-3-(2-iminopiperidin-1-yl)butan-1-ol

1-amino-3-(2-iminopiperidin-1-yl)butan-1-ol (PubChem CID 57189882) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-amino-3-(2-iminopiperidin-1-yl)butan-1-ol.

Molecular Properties

Compound Name1-amino-3-(2-iminopiperidin-1-yl)butan-1-ol
PubChem CID57189882
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name1-amino-3-(2-iminopiperidin-1-yl)butan-1-ol
SMILES[H]/N=C1\CCCCN1C(C)CC(N)O
InChIInChI=1S/C9H19N3O/c1-7(6-9(11)13)12-5-3-2-4-8(12)10/h7,9-10,13H,2-6,11H2,1H3/b10-8+
InChIKeyCWTLFCORVUCLFF-CSKARUKUSA-N
XLogP0.51
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-Imino-3-piperidin-1-ylpropan-1-ol
CID 54350714
1-(2-Iminopiperidin-1-yl)propan-1-ol
CID 57294176
4-Amino-3-(2-iminopiperidin-1-yl)butan-1-ol
CID 174336788
4-Amino-1-(2-iminopiperidin-1-yl)butan-1-ol
CID 174336790
1-Ethanimidoyl-2,6-dimethylpiperidin-4-ol
CID 177033685
3-(4-Hydroxypiperidin-1-yl)pentanimidamide
CID 43175060
3-[2-(2-Hydroxyethyl)piperidin-1-yl]pentanimidamide
CID 43368010
3-(4-Hydroxypiperidin-1-yl)butanimidamide
CID 60914692
3-[2-(2-Hydroxyethyl)piperidin-1-yl]butanimidamide
CID 60914694
3-[3-Hydroxypropyl(propan-2-yl)amino]pentanimidamide
CID 61581428
3-(2,3,4,5-Tetrahydropyridin-6-ylamino)butan-1-ol
CID 83177293
3-[Ethyl(3-hydroxypropyl)amino]pentanimidamide
CID 116056058

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-iminopiperidin-1-yl)butan-1-ol?
The IUPAC name of 1-amino-3-(2-iminopiperidin-1-yl)butan-1-ol (CID 57189882) is 1-amino-3-(2-iminopiperidin-1-yl)butan-1-ol.
What is the SMILES notation for 1-amino-3-(2-iminopiperidin-1-yl)butan-1-ol?
The canonical SMILES for 1-amino-3-(2-iminopiperidin-1-yl)butan-1-ol is [H]/N=C1\CCCCN1C(C)CC(N)O.
What is the InChIKey of 1-amino-3-(2-iminopiperidin-1-yl)butan-1-ol?
The InChIKey is CWTLFCORVUCLFF-CSKARUKUSA-N. The full InChI is InChI=1S/C9H19N3O/c1-7(6-9(11)13)12-5-3-2-4-8(12)10/h7,9-10,13H,2-6,11H2,1H3/b10-8+.
What are the key properties of 1-amino-3-(2-iminopiperidin-1-yl)butan-1-ol?
1-amino-3-(2-iminopiperidin-1-yl)butan-1-ol has a molecular weight of 185.27 g/mol, XLogP of 0.51, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-iminopiperidin-1-yl)butan-1-ol is sourced from PubChem (CID 57189882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).