2-amino-1-piperidin-3-ylprop-2-en-1-ol

C8H16N2O — CID 176945798

IUPAC2-amino-1-piperidin-3-ylprop-2-en-1-ol
SMILESC=C(N)C(O)C1CCCNC1
InChIInChI=1S/C8H16N2O/c1-6(9)8(11)7-3-2-4-10-5-7/h7-8,10-11H,1-5,9H2
InChIKeyKTWFREYJADZHOZ-UHFFFAOYSA-N
MW156.23 g/mol
LogP-0.18
Rot. Bonds2

About 2-amino-1-piperidin-3-ylprop-2-en-1-ol

2-amino-1-piperidin-3-ylprop-2-en-1-ol (PubChem CID 176945798) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 2-amino-1-piperidin-3-ylprop-2-en-1-ol.

Molecular Properties

Compound Name2-amino-1-piperidin-3-ylprop-2-en-1-ol
PubChem CID176945798
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name2-amino-1-piperidin-3-ylprop-2-en-1-ol
SMILESC=C(N)C(O)C1CCCNC1
InChIInChI=1S/C8H16N2O/c1-6(9)8(11)7-3-2-4-10-5-7/h7-8,10-11H,1-5,9H2
InChIKeyKTWFREYJADZHOZ-UHFFFAOYSA-N
XLogP-0.18
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-piperidin-3-ylprop-2-en-1-ol?
The IUPAC name of 2-amino-1-piperidin-3-ylprop-2-en-1-ol (CID 176945798) is 2-amino-1-piperidin-3-ylprop-2-en-1-ol.
What is the SMILES notation for 2-amino-1-piperidin-3-ylprop-2-en-1-ol?
The canonical SMILES for 2-amino-1-piperidin-3-ylprop-2-en-1-ol is C=C(N)C(O)C1CCCNC1.
What is the InChIKey of 2-amino-1-piperidin-3-ylprop-2-en-1-ol?
The InChIKey is KTWFREYJADZHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-6(9)8(11)7-3-2-4-10-5-7/h7-8,10-11H,1-5,9H2.
What are the key properties of 2-amino-1-piperidin-3-ylprop-2-en-1-ol?
2-amino-1-piperidin-3-ylprop-2-en-1-ol has a molecular weight of 156.23 g/mol, XLogP of -0.18, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-piperidin-3-ylprop-2-en-1-ol is sourced from PubChem (CID 176945798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).