(2S)-1-[(1-ethyl-2-methylpiperidin-4-yl)amino]propan-2-ol

C11H24N2O — CID 103906419

IUPAC(2S)-1-[(1-ethyl-2-methylpiperidin-4-yl)amino]propan-2-ol
SMILESCCN1CCC(NC[C@H](C)O)CC1C
InChIInChI=1S/C11H24N2O/c1-4-13-6-5-11(7-9(13)2)12-8-10(3)14/h9-12,14H,4-8H2,1-3H3/t9?,10-,11?/m0/s1
InChIKeyFRMUQDMMYVGTES-YVNMAJEFSA-N
MW200.33 g/mol
LogP0.83
Rot. Bonds4

About (2S)-1-[(1-ethyl-2-methylpiperidin-4-yl)amino]propan-2-ol

(2S)-1-[(1-ethyl-2-methylpiperidin-4-yl)amino]propan-2-ol (PubChem CID 103906419) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is (2S)-1-[(1-ethyl-2-methylpiperidin-4-yl)amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(1-ethyl-2-methylpiperidin-4-yl)amino]propan-2-ol
PubChem CID103906419
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name(2S)-1-[(1-ethyl-2-methylpiperidin-4-yl)amino]propan-2-ol
SMILESCCN1CCC(NC[C@H](C)O)CC1C
InChIInChI=1S/C11H24N2O/c1-4-13-6-5-11(7-9(13)2)12-8-10(3)14/h9-12,14H,4-8H2,1-3H3/t9?,10-,11?/m0/s1
InChIKeyFRMUQDMMYVGTES-YVNMAJEFSA-N
XLogP0.83
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-2-methyl-N-(2-methylbutyl)piperidin-4-amine
CID 115887559
1-ethyl-2-methyl-N-(2-methylpentyl)piperidin-4-amine
CID 115907342
(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
N-butan-2-yl-1-ethyl-2-methylpiperidin-4-amine
CID 115705729
N-(2-bromoprop-2-enyl)-1-ethyl-2-methylpiperidin-4-amine
CID 115717320
5-[(1-ethyl-2-methylpiperidin-4-yl)amino]pentanenitrile
CID 115716628
(2S)-1-[(1,5-dimethylpyrrolidin-3-yl)amino]propan-2-ol
CID 103906633
2-[(1-ethyl-2-methylpiperidin-4-yl)amino]cyclopentan-1-ol
CID 115891321
(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
(2R)-1-[[(1S,3S,4R)-3,4-dimethylcyclohexyl]amino]propan-2-ol
CID 96732492

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(1-ethyl-2-methylpiperidin-4-yl)amino]propan-2-ol?
The IUPAC name of (2S)-1-[(1-ethyl-2-methylpiperidin-4-yl)amino]propan-2-ol (CID 103906419) is (2S)-1-[(1-ethyl-2-methylpiperidin-4-yl)amino]propan-2-ol.
What is the SMILES notation for (2S)-1-[(1-ethyl-2-methylpiperidin-4-yl)amino]propan-2-ol?
The canonical SMILES for (2S)-1-[(1-ethyl-2-methylpiperidin-4-yl)amino]propan-2-ol is CCN1CCC(NC[C@H](C)O)CC1C.
What is the InChIKey of (2S)-1-[(1-ethyl-2-methylpiperidin-4-yl)amino]propan-2-ol?
The InChIKey is FRMUQDMMYVGTES-YVNMAJEFSA-N. The full InChI is InChI=1S/C11H24N2O/c1-4-13-6-5-11(7-9(13)2)12-8-10(3)14/h9-12,14H,4-8H2,1-3H3/t9?,10-,11?/m0/s1.
What are the key properties of (2S)-1-[(1-ethyl-2-methylpiperidin-4-yl)amino]propan-2-ol?
(2S)-1-[(1-ethyl-2-methylpiperidin-4-yl)amino]propan-2-ol has a molecular weight of 200.33 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(1-ethyl-2-methylpiperidin-4-yl)amino]propan-2-ol is sourced from PubChem (CID 103906419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).