(2S)-1-(4-methoxypiperidin-1-yl)-N,3-dimethylbutan-2-amine

C12H26N2O — CID 67773742

IUPAC(2S)-1-(4-methoxypiperidin-1-yl)-N,3-dimethylbutan-2-amine
SMILESCN[C@H](CN1CCC(OC)CC1)C(C)C
InChIInChI=1S/C12H26N2O/c1-10(2)12(13-3)9-14-7-5-11(15-4)6-8-14/h10-13H,5-9H2,1-4H3/t12-/m1/s1
InChIKeyFNADVSVTLWWSEG-GFCCVEGCSA-N
MW214.35 g/mol
LogP1.34
Rot. Bonds5

About (2S)-1-(4-methoxypiperidin-1-yl)-N,3-dimethylbutan-2-amine

(2S)-1-(4-methoxypiperidin-1-yl)-N,3-dimethylbutan-2-amine (PubChem CID 67773742) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is (2S)-1-(4-methoxypiperidin-1-yl)-N,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name(2S)-1-(4-methoxypiperidin-1-yl)-N,3-dimethylbutan-2-amine
PubChem CID67773742
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name(2S)-1-(4-methoxypiperidin-1-yl)-N,3-dimethylbutan-2-amine
SMILESCN[C@H](CN1CCC(OC)CC1)C(C)C
InChIInChI=1S/C12H26N2O/c1-10(2)12(13-3)9-14-7-5-11(15-4)6-8-14/h10-13H,5-9H2,1-4H3/t12-/m1/s1
InChIKeyFNADVSVTLWWSEG-GFCCVEGCSA-N
XLogP1.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-methoxypiperidin-1-yl)-N,3-dimethylbutan-2-amine?
The IUPAC name of (2S)-1-(4-methoxypiperidin-1-yl)-N,3-dimethylbutan-2-amine (CID 67773742) is (2S)-1-(4-methoxypiperidin-1-yl)-N,3-dimethylbutan-2-amine.
What is the SMILES notation for (2S)-1-(4-methoxypiperidin-1-yl)-N,3-dimethylbutan-2-amine?
The canonical SMILES for (2S)-1-(4-methoxypiperidin-1-yl)-N,3-dimethylbutan-2-amine is CN[C@H](CN1CCC(OC)CC1)C(C)C.
What is the InChIKey of (2S)-1-(4-methoxypiperidin-1-yl)-N,3-dimethylbutan-2-amine?
The InChIKey is FNADVSVTLWWSEG-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H26N2O/c1-10(2)12(13-3)9-14-7-5-11(15-4)6-8-14/h10-13H,5-9H2,1-4H3/t12-/m1/s1.
What are the key properties of (2S)-1-(4-methoxypiperidin-1-yl)-N,3-dimethylbutan-2-amine?
(2S)-1-(4-methoxypiperidin-1-yl)-N,3-dimethylbutan-2-amine has a molecular weight of 214.35 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-methoxypiperidin-1-yl)-N,3-dimethylbutan-2-amine is sourced from PubChem (CID 67773742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).