1-(2-iminopiperidin-1-yl)propan-1-ol

C8H16N2O — CID 57294176

IUPAC1-(2-iminopiperidin-1-yl)propan-1-ol
SMILES[H]/N=C1\CCCCN1C(O)CC
InChIInChI=1S/C8H16N2O/c1-2-8(11)10-6-4-3-5-7(10)9/h8-9,11H,2-6H2,1H3/b9-7+
InChIKeyFXHAYGGFHPMKTD-VQHVLOKHSA-N
MW156.23 g/mol
LogP1.18
Rot. Bonds2

About 1-(2-iminopiperidin-1-yl)propan-1-ol

1-(2-iminopiperidin-1-yl)propan-1-ol (PubChem CID 57294176) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-(2-iminopiperidin-1-yl)propan-1-ol.

Molecular Properties

Compound Name1-(2-iminopiperidin-1-yl)propan-1-ol
PubChem CID57294176
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name1-(2-iminopiperidin-1-yl)propan-1-ol
SMILES[H]/N=C1\CCCCN1C(O)CC
InChIInChI=1S/C8H16N2O/c1-2-8(11)10-6-4-3-5-7(10)9/h8-9,11H,2-6H2,1H3/b9-7+
InChIKeyFXHAYGGFHPMKTD-VQHVLOKHSA-N
XLogP1.18
TPSA47.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 1-(2-iminopiperidin-1-yl)propan-1-ol?
The IUPAC name of 1-(2-iminopiperidin-1-yl)propan-1-ol (CID 57294176) is 1-(2-iminopiperidin-1-yl)propan-1-ol.
What is the SMILES notation for 1-(2-iminopiperidin-1-yl)propan-1-ol?
The canonical SMILES for 1-(2-iminopiperidin-1-yl)propan-1-ol is [H]/N=C1\CCCCN1C(O)CC.
What is the InChIKey of 1-(2-iminopiperidin-1-yl)propan-1-ol?
The InChIKey is FXHAYGGFHPMKTD-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H16N2O/c1-2-8(11)10-6-4-3-5-7(10)9/h8-9,11H,2-6H2,1H3/b9-7+.
What are the key properties of 1-(2-iminopiperidin-1-yl)propan-1-ol?
1-(2-iminopiperidin-1-yl)propan-1-ol has a molecular weight of 156.23 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iminopiperidin-1-yl)propan-1-ol is sourced from PubChem (CID 57294176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).