3-(piperidin-4-ylamino)propane-1,2-diol

C8H18N2O2 — CID 19071060

IUPAC3-(piperidin-4-ylamino)propane-1,2-diol
SMILESOCC(O)CNC1CCNCC1
InChIInChI=1S/C8H18N2O2/c11-6-8(12)5-10-7-1-3-9-4-2-7/h7-12H,1-6H2
InChIKeyCJWLVBVPPMAECY-UHFFFAOYSA-N
MW174.24 g/mol
LogP-1.32
Rot. Bonds4

About 3-(piperidin-4-ylamino)propane-1,2-diol

3-(piperidin-4-ylamino)propane-1,2-diol (PubChem CID 19071060) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 3-(piperidin-4-ylamino)propane-1,2-diol.

Molecular Properties

Compound Name3-(piperidin-4-ylamino)propane-1,2-diol
PubChem CID19071060
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name3-(piperidin-4-ylamino)propane-1,2-diol
SMILESOCC(O)CNC1CCNCC1
InChIInChI=1S/C8H18N2O2/c11-6-8(12)5-10-7-1-3-9-4-2-7/h7-12H,1-6H2
InChIKeyCJWLVBVPPMAECY-UHFFFAOYSA-N
XLogP-1.32
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 5-1.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(piperidin-4-ylamino)propane-1,2-diol?
The IUPAC name of 3-(piperidin-4-ylamino)propane-1,2-diol (CID 19071060) is 3-(piperidin-4-ylamino)propane-1,2-diol.
What is the SMILES notation for 3-(piperidin-4-ylamino)propane-1,2-diol?
The canonical SMILES for 3-(piperidin-4-ylamino)propane-1,2-diol is OCC(O)CNC1CCNCC1.
What is the InChIKey of 3-(piperidin-4-ylamino)propane-1,2-diol?
The InChIKey is CJWLVBVPPMAECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c11-6-8(12)5-10-7-1-3-9-4-2-7/h7-12H,1-6H2.
What are the key properties of 3-(piperidin-4-ylamino)propane-1,2-diol?
3-(piperidin-4-ylamino)propane-1,2-diol has a molecular weight of 174.24 g/mol, XLogP of -1.32, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidin-4-ylamino)propane-1,2-diol is sourced from PubChem (CID 19071060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).