3-amino-1-(3-piperidin-1-ylphenyl)propane-1,2-diol

C14H22N2O2 — CID 170828843

IUPAC3-amino-1-(3-piperidin-1-ylphenyl)propane-1,2-diol
SMILESNCC(O)C(O)c1cccc(N2CCCCC2)c1
InChIInChI=1S/C14H22N2O2/c15-10-13(17)14(18)11-5-4-6-12(9-11)16-7-2-1-3-8-16/h4-6,9,13-14,17-18H,1-3,7-8,10,15H2
InChIKeyJEGFEXHDQKSTLX-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.03
Rot. Bonds4

About 3-amino-1-(3-piperidin-1-ylphenyl)propane-1,2-diol

3-amino-1-(3-piperidin-1-ylphenyl)propane-1,2-diol (PubChem CID 170828843) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-amino-1-(3-piperidin-1-ylphenyl)propane-1,2-diol.

Molecular Properties

Compound Name3-amino-1-(3-piperidin-1-ylphenyl)propane-1,2-diol
PubChem CID170828843
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-amino-1-(3-piperidin-1-ylphenyl)propane-1,2-diol
SMILESNCC(O)C(O)c1cccc(N2CCCCC2)c1
InChIInChI=1S/C14H22N2O2/c15-10-13(17)14(18)11-5-4-6-12(9-11)16-7-2-1-3-8-16/h4-6,9,13-14,17-18H,1-3,7-8,10,15H2
InChIKeyJEGFEXHDQKSTLX-UHFFFAOYSA-N
XLogP1.03
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-piperidin-1-ylphenyl)propane-1,2-diol?
The IUPAC name of 3-amino-1-(3-piperidin-1-ylphenyl)propane-1,2-diol (CID 170828843) is 3-amino-1-(3-piperidin-1-ylphenyl)propane-1,2-diol.
What is the SMILES notation for 3-amino-1-(3-piperidin-1-ylphenyl)propane-1,2-diol?
The canonical SMILES for 3-amino-1-(3-piperidin-1-ylphenyl)propane-1,2-diol is NCC(O)C(O)c1cccc(N2CCCCC2)c1.
What is the InChIKey of 3-amino-1-(3-piperidin-1-ylphenyl)propane-1,2-diol?
The InChIKey is JEGFEXHDQKSTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c15-10-13(17)14(18)11-5-4-6-12(9-11)16-7-2-1-3-8-16/h4-6,9,13-14,17-18H,1-3,7-8,10,15H2.
What are the key properties of 3-amino-1-(3-piperidin-1-ylphenyl)propane-1,2-diol?
3-amino-1-(3-piperidin-1-ylphenyl)propane-1,2-diol has a molecular weight of 250.34 g/mol, XLogP of 1.03, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-piperidin-1-ylphenyl)propane-1,2-diol is sourced from PubChem (CID 170828843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).