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

C12H26N2O — CID 103906834

IUPAC(2R)-1-[(1-tert-butylpiperidin-4-yl)amino]propan-2-ol
SMILESC[C@@H](O)CNC1CCN(C(C)(C)C)CC1
InChIInChI=1S/C12H26N2O/c1-10(15)9-13-11-5-7-14(8-6-11)12(2,3)4/h10-11,13,15H,5-9H2,1-4H3/t10-/m1/s1
InChIKeyJXJFJCUHLPVVOC-SNVBAGLBSA-N
MW214.35 g/mol
LogP1.22
Rot. Bonds3

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

(2R)-1-[(1-tert-butylpiperidin-4-yl)amino]propan-2-ol (PubChem CID 103906834) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is (2R)-1-[(1-tert-butylpiperidin-4-yl)amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(1-tert-butylpiperidin-4-yl)amino]propan-2-ol
PubChem CID103906834
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name(2R)-1-[(1-tert-butylpiperidin-4-yl)amino]propan-2-ol
SMILESC[C@@H](O)CNC1CCN(C(C)(C)C)CC1
InChIInChI=1S/C12H26N2O/c1-10(15)9-13-11-5-7-14(8-6-11)12(2,3)4/h10-11,13,15H,5-9H2,1-4H3/t10-/m1/s1
InChIKeyJXJFJCUHLPVVOC-SNVBAGLBSA-N
XLogP1.22
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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-iodopiperidin-4-yl)amino]propan-2-ol
CID 134342012
N-[2-(4-tert-butylpiperazin-1-yl)propyl]cyclopropanamine
CID 55072104
1-(cyclooctylamino)propan-2-ol
CID 20539535
1-(cycloheptylamino)propan-2-ol
CID 43392225
ethyl 4-(2-hydroxypropylamino)piperidine-1-carboxylate
CID 43776223
1-(4-tert-butylphenoxy)-3-[(1-tert-butylpiperidin-4-yl)amino]propan-2-ol
CID 166238807
(2R)-1-[(4-propylcyclohexyl)amino]propan-2-ol
CID 93033312
(2S)-1-[(1,2-dimethylpiperidin-4-yl)amino]propan-2-ol
CID 103906506
(2R)-1-[(1,2-dimethylpiperidin-4-yl)amino]propan-2-ol
CID 103906841
(2S)-1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)propan-2-ol
CID 103906359

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(1-tert-butylpiperidin-4-yl)amino]propan-2-ol?
The IUPAC name of (2R)-1-[(1-tert-butylpiperidin-4-yl)amino]propan-2-ol (CID 103906834) is (2R)-1-[(1-tert-butylpiperidin-4-yl)amino]propan-2-ol.
What is the SMILES notation for (2R)-1-[(1-tert-butylpiperidin-4-yl)amino]propan-2-ol?
The canonical SMILES for (2R)-1-[(1-tert-butylpiperidin-4-yl)amino]propan-2-ol is C[C@@H](O)CNC1CCN(C(C)(C)C)CC1.
What is the InChIKey of (2R)-1-[(1-tert-butylpiperidin-4-yl)amino]propan-2-ol?
The InChIKey is JXJFJCUHLPVVOC-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H26N2O/c1-10(15)9-13-11-5-7-14(8-6-11)12(2,3)4/h10-11,13,15H,5-9H2,1-4H3/t10-/m1/s1.
What are the key properties of (2R)-1-[(1-tert-butylpiperidin-4-yl)amino]propan-2-ol?
(2R)-1-[(1-tert-butylpiperidin-4-yl)amino]propan-2-ol has a molecular weight of 214.35 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(1-tert-butylpiperidin-4-yl)amino]propan-2-ol is sourced from PubChem (CID 103906834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).