(3S,5R)-1-(3-amino-2,2-dimethylpropyl)-5-methylpiperidin-3-ol

C11H24N2O — CID 130802863

IUPAC(3S,5R)-1-(3-amino-2,2-dimethylpropyl)-5-methylpiperidin-3-ol
SMILESC[C@@H]1C[C@H](O)CN(CC(C)(C)CN)C1
InChIInChI=1S/C11H24N2O/c1-9-4-10(14)6-13(5-9)8-11(2,3)7-12/h9-10,14H,4-8,12H2,1-3H3/t9-,10+/m1/s1
InChIKeyFULBZLITGXUOBZ-ZJUUUORDSA-N
MW200.33 g/mol
LogP0.67
Rot. Bonds3

About (3S,5R)-1-(3-amino-2,2-dimethylpropyl)-5-methylpiperidin-3-ol

(3S,5R)-1-(3-amino-2,2-dimethylpropyl)-5-methylpiperidin-3-ol (PubChem CID 130802863) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is (3S,5R)-1-(3-amino-2,2-dimethylpropyl)-5-methylpiperidin-3-ol.

Molecular Properties

Compound Name(3S,5R)-1-(3-amino-2,2-dimethylpropyl)-5-methylpiperidin-3-ol
PubChem CID130802863
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name(3S,5R)-1-(3-amino-2,2-dimethylpropyl)-5-methylpiperidin-3-ol
SMILESC[C@@H]1C[C@H](O)CN(CC(C)(C)CN)C1
InChIInChI=1S/C11H24N2O/c1-9-4-10(14)6-13(5-9)8-11(2,3)7-12/h9-10,14H,4-8,12H2,1-3H3/t9-,10+/m1/s1
InChIKeyFULBZLITGXUOBZ-ZJUUUORDSA-N
XLogP0.67
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-dimethyl-3-sulfanylpropyl)-5-methylpiperidin-3-ol
CID 130802828
(3S,5S)-1-ethyl-5-methylpiperidin-3-ol
CID 1415650
2,2-dimethyl-3-(3-methylpiperidin-1-yl)propan-1-amine
CID 62262995
(3S,5R)-1-(3-hydroxy-3-methylbutyl)-5-methylpiperidin-3-ol
CID 130802812
1-[(3S,5R)-3-hydroxy-5-methylpiperidin-1-yl]-3,3-dimethylbutan-2-one
CID 130856209
5-methyl-1-(2-methylpropyl)piperidin-3-ol
CID 128552520
(3S,5R)-1-(cyclopropylmethyl)-5-methylpiperidin-3-ol
CID 130856207
2-[(3,5-dimethylpiperidin-1-yl)methyl]-2-ethylbutan-1-amine
CID 62262959
2-[(3,5-dimethylpiperidin-1-yl)methyl]-2-methylpentan-1-amine
CID 62263147
2-[(3S,5R)-3-hydroxy-5-methylpiperidin-1-yl]acetohydrazide
CID 130826332
1-(3-chloropropyl)-5-methylpiperidin-3-ol
CID 130943603
(3S,5S)-1-amino-5-methylpiperidin-3-ol
CID 134534794

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-1-(3-amino-2,2-dimethylpropyl)-5-methylpiperidin-3-ol?
The IUPAC name of (3S,5R)-1-(3-amino-2,2-dimethylpropyl)-5-methylpiperidin-3-ol (CID 130802863) is (3S,5R)-1-(3-amino-2,2-dimethylpropyl)-5-methylpiperidin-3-ol.
What is the SMILES notation for (3S,5R)-1-(3-amino-2,2-dimethylpropyl)-5-methylpiperidin-3-ol?
The canonical SMILES for (3S,5R)-1-(3-amino-2,2-dimethylpropyl)-5-methylpiperidin-3-ol is C[C@@H]1C[C@H](O)CN(CC(C)(C)CN)C1.
What is the InChIKey of (3S,5R)-1-(3-amino-2,2-dimethylpropyl)-5-methylpiperidin-3-ol?
The InChIKey is FULBZLITGXUOBZ-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H24N2O/c1-9-4-10(14)6-13(5-9)8-11(2,3)7-12/h9-10,14H,4-8,12H2,1-3H3/t9-,10+/m1/s1.
What are the key properties of (3S,5R)-1-(3-amino-2,2-dimethylpropyl)-5-methylpiperidin-3-ol?
(3S,5R)-1-(3-amino-2,2-dimethylpropyl)-5-methylpiperidin-3-ol has a molecular weight of 200.33 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-1-(3-amino-2,2-dimethylpropyl)-5-methylpiperidin-3-ol is sourced from PubChem (CID 130802863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).