4-(2-aminoethyl)piperidine-3,5-diol

C7H16N2O2 — CID 82652211

IUPAC4-(2-aminoethyl)piperidine-3,5-diol
SMILESNCCC1C(O)CNCC1O
InChIInChI=1S/C7H16N2O2/c8-2-1-5-6(10)3-9-4-7(5)11/h5-7,9-11H,1-4,8H2
InChIKeyVRPFMHKPIFAKFE-UHFFFAOYSA-N
MW160.22 g/mol
LogP-1.72
Rot. Bonds2

About 4-(2-aminoethyl)piperidine-3,5-diol

4-(2-aminoethyl)piperidine-3,5-diol (PubChem CID 82652211) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 4-(2-aminoethyl)piperidine-3,5-diol.

Molecular Properties

Compound Name4-(2-aminoethyl)piperidine-3,5-diol
PubChem CID82652211
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Name4-(2-aminoethyl)piperidine-3,5-diol
SMILESNCCC1C(O)CNCC1O
InChIInChI=1S/C7H16N2O2/c8-2-1-5-6(10)3-9-4-7(5)11/h5-7,9-11H,1-4,8H2
InChIKeyVRPFMHKPIFAKFE-UHFFFAOYSA-N
XLogP-1.72
TPSA78.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 5-1.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,5R)-piperidine-3,4,5-triol
CID 10464382
(3R,4R)-4-aminopyrrolidin-3-ol
CID 10725920
(3S,4R)-4-[(1S)-1,2-diaminoethyl]pyrrolidin-3-ol
CID 72705244
4-(1,2-diaminoethyl)pyrrolidin-3-ol
CID 90034039
piperidine-3,4,5-triol;hydrochloride
CID 73223230
4-(2-bromoethyl)pyrrolidin-3-ol
CID 174676164
9-(2-aminoethyl)bicyclo[3.3.1]nonan-3-ol
CID 115016567
(3R,4S)-4-(hydroxymethyl)pyrrolidin-3-ol;hydrochloride
CID 121229170
(3R,4S,5R,6R)-6-aminoazepane-3,4,5-triol
CID 139845790
2-[(3R,4R)-4-hydroxypyrrolidin-3-yl]acetamide
CID 91590285
(3S,4S)-4-bromopyrrolidin-3-ol
CID 67334722
(3R,4R)-5-(hydroxymethyl)piperidine-3,4-diol;(3R,4R,5R)-5-(hydroxymethyl)piperidine-3,4-diol
CID 159190224

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)piperidine-3,5-diol?
The IUPAC name of 4-(2-aminoethyl)piperidine-3,5-diol (CID 82652211) is 4-(2-aminoethyl)piperidine-3,5-diol.
What is the SMILES notation for 4-(2-aminoethyl)piperidine-3,5-diol?
The canonical SMILES for 4-(2-aminoethyl)piperidine-3,5-diol is NCCC1C(O)CNCC1O.
What is the InChIKey of 4-(2-aminoethyl)piperidine-3,5-diol?
The InChIKey is VRPFMHKPIFAKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2/c8-2-1-5-6(10)3-9-4-7(5)11/h5-7,9-11H,1-4,8H2.
What are the key properties of 4-(2-aminoethyl)piperidine-3,5-diol?
4-(2-aminoethyl)piperidine-3,5-diol has a molecular weight of 160.22 g/mol, XLogP of -1.72, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)piperidine-3,5-diol is sourced from PubChem (CID 82652211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).