(2R)-1-[(1-iodopiperidin-4-yl)amino]propan-2-ol

C8H17IN2O — CID 134342012

IUPAC(2R)-1-[(1-iodopiperidin-4-yl)amino]propan-2-ol
SMILESC[C@@H](O)CNC1CCN(I)CC1
InChIInChI=1S/C8H17IN2O/c1-7(12)6-10-8-2-4-11(9)5-3-8/h7-8,10,12H,2-6H2,1H3/t7-/m1/s1
InChIKeyXFGMLOKJNRSAQK-SSDOTTSWSA-N
MW284.14 g/mol
LogP0.77
Rot. Bonds3

About (2R)-1-[(1-iodopiperidin-4-yl)amino]propan-2-ol

(2R)-1-[(1-iodopiperidin-4-yl)amino]propan-2-ol (PubChem CID 134342012) has the molecular formula C8H17IN2O and a molecular weight of 284.14 g/mol. Its IUPAC name is (2R)-1-[(1-iodopiperidin-4-yl)amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(1-iodopiperidin-4-yl)amino]propan-2-ol
PubChem CID134342012
Molecular FormulaC8H17IN2O
Molecular Weight284.14 g/mol
Exact Mass284.04
IUPAC Name(2R)-1-[(1-iodopiperidin-4-yl)amino]propan-2-ol
SMILESC[C@@H](O)CNC1CCN(I)CC1
InChIInChI=1S/C8H17IN2O/c1-7(12)6-10-8-2-4-11(9)5-3-8/h7-8,10,12H,2-6H2,1H3/t7-/m1/s1
InChIKeyXFGMLOKJNRSAQK-SSDOTTSWSA-N
XLogP0.77
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.14
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-(cyclopropylamino)propan-2-ol
CID 39234971
(2R)-1-[(1-propan-2-ylpiperidin-4-yl)amino]propan-2-ol
CID 93033302
(2R)-1-[(1-tert-butylpiperidin-4-yl)amino]propan-2-ol
CID 103906834
1-(cycloheptylamino)propan-2-ol
CID 43392225
1-(cyclooctylamino)propan-2-ol
CID 20539535
ethyl 4-(2-hydroxypropylamino)piperidine-1-carboxylate
CID 43776223
(2R)-1-[(1,2-dimethylpiperidin-4-yl)amino]propan-2-ol
CID 103906841
(2S)-1-[(1,2-dimethylpiperidin-4-yl)amino]propan-2-ol
CID 103906506
(2S)-1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)propan-2-ol
CID 103906359
(2S)-1-[(1-ethyl-2-methylpiperidin-4-yl)amino]propan-2-ol
CID 103906419
(2R)-1-[(4-propylcyclohexyl)amino]propan-2-ol
CID 93033312
(2R)-1-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]propan-2-ol
CID 103906927

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(1-iodopiperidin-4-yl)amino]propan-2-ol?
The IUPAC name of (2R)-1-[(1-iodopiperidin-4-yl)amino]propan-2-ol (CID 134342012) is (2R)-1-[(1-iodopiperidin-4-yl)amino]propan-2-ol.
What is the SMILES notation for (2R)-1-[(1-iodopiperidin-4-yl)amino]propan-2-ol?
The canonical SMILES for (2R)-1-[(1-iodopiperidin-4-yl)amino]propan-2-ol is C[C@@H](O)CNC1CCN(I)CC1.
What is the InChIKey of (2R)-1-[(1-iodopiperidin-4-yl)amino]propan-2-ol?
The InChIKey is XFGMLOKJNRSAQK-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H17IN2O/c1-7(12)6-10-8-2-4-11(9)5-3-8/h7-8,10,12H,2-6H2,1H3/t7-/m1/s1.
What are the key properties of (2R)-1-[(1-iodopiperidin-4-yl)amino]propan-2-ol?
(2R)-1-[(1-iodopiperidin-4-yl)amino]propan-2-ol has a molecular weight of 284.14 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(1-iodopiperidin-4-yl)amino]propan-2-ol is sourced from PubChem (CID 134342012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).