(2S)-1-(cyclopropylamino)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-ol

C13H26N2O — CID 124669128

IUPAC(2S)-1-(cyclopropylamino)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-ol
SMILESC[C@@H]1C[C@@H](C)CN(C[C@@H](O)CNC2CC2)C1
InChIInChI=1S/C13H26N2O/c1-10-5-11(2)8-15(7-10)9-13(16)6-14-12-3-4-12/h10-14,16H,3-9H2,1-2H3/t10-,11-,13+/m1/s1
InChIKeySRGZXIQVTVCGOL-WZRBSPASSA-N
MW226.36 g/mol
LogP1.08
Rot. Bonds5

About (2S)-1-(cyclopropylamino)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-ol

(2S)-1-(cyclopropylamino)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-ol (PubChem CID 124669128) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is (2S)-1-(cyclopropylamino)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(cyclopropylamino)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-ol
PubChem CID124669128
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name(2S)-1-(cyclopropylamino)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-ol
SMILESC[C@@H]1C[C@@H](C)CN(C[C@@H](O)CNC2CC2)C1
InChIInChI=1S/C13H26N2O/c1-10-5-11(2)8-15(7-10)9-13(16)6-14-12-3-4-12/h10-14,16H,3-9H2,1-2H3/t10-,11-,13+/m1/s1
InChIKeySRGZXIQVTVCGOL-WZRBSPASSA-N
XLogP1.08
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-1-(cyclopropylamino)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-ol with MolForge

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Related Compounds

(2S)-1-(cyclopropylamino)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol
CID 124550922
1-[(3-methylcyclopentyl)amino]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 111466677
1-(cyclopropylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol
CID 62775844
1-(cyclopropylamino)-3-(2-methylmorpholin-4-yl)propan-2-ol
CID 43165752
1-(azepan-1-yl)-3-(cyclopropylamino)propan-2-ol
CID 43165749
1-(azocan-1-yl)-3-(cyclopropylamino)propan-2-ol
CID 43165880
(2S)-1-(cyclohexylamino)-3-[4-[(2S)-3-(cyclohexylamino)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 7446257
(2S)-1-(cyclopropylamino)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol
CID 124550924
1-(cyclopropylamino)-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-2-ol
CID 62996690
1-(3-azaspiro[5.5]undecan-3-yl)-3-(cyclopropylamino)propan-2-ol
CID 62937041
1-[(4-methylcyclohexyl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 60633137
(2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 8741516

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(cyclopropylamino)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-ol?
The IUPAC name of (2S)-1-(cyclopropylamino)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-ol (CID 124669128) is (2S)-1-(cyclopropylamino)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-(cyclopropylamino)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-ol?
The canonical SMILES for (2S)-1-(cyclopropylamino)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-ol is C[C@@H]1C[C@@H](C)CN(C[C@@H](O)CNC2CC2)C1.
What is the InChIKey of (2S)-1-(cyclopropylamino)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-ol?
The InChIKey is SRGZXIQVTVCGOL-WZRBSPASSA-N. The full InChI is InChI=1S/C13H26N2O/c1-10-5-11(2)8-15(7-10)9-13(16)6-14-12-3-4-12/h10-14,16H,3-9H2,1-2H3/t10-,11-,13+/m1/s1.
What are the key properties of (2S)-1-(cyclopropylamino)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-ol?
(2S)-1-(cyclopropylamino)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-ol has a molecular weight of 226.36 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(cyclopropylamino)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-ol is sourced from PubChem (CID 124669128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).