(2S)-1-(3-methoxy-4-methylpiperidin-1-yl)propan-2-amine

C10H22N2O — CID 102965393

IUPAC(2S)-1-(3-methoxy-4-methylpiperidin-1-yl)propan-2-amine
SMILESCOC1CN(C[C@H](C)N)CCC1C
InChIInChI=1S/C10H22N2O/c1-8-4-5-12(6-9(2)11)7-10(8)13-3/h8-10H,4-7,11H2,1-3H3/t8?,9-,10?/m0/s1
InChIKeyZJRHPDYJMIICMT-KYHHOPLUSA-N
MW186.30 g/mol
LogP0.69
Rot. Bonds3

About (2S)-1-(3-methoxy-4-methylpiperidin-1-yl)propan-2-amine

(2S)-1-(3-methoxy-4-methylpiperidin-1-yl)propan-2-amine (PubChem CID 102965393) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is (2S)-1-(3-methoxy-4-methylpiperidin-1-yl)propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(3-methoxy-4-methylpiperidin-1-yl)propan-2-amine
PubChem CID102965393
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name(2S)-1-(3-methoxy-4-methylpiperidin-1-yl)propan-2-amine
SMILESCOC1CN(C[C@H](C)N)CCC1C
InChIInChI=1S/C10H22N2O/c1-8-4-5-12(6-9(2)11)7-10(8)13-3/h8-10H,4-7,11H2,1-3H3/t8?,9-,10?/m0/s1
InChIKeyZJRHPDYJMIICMT-KYHHOPLUSA-N
XLogP0.69
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-1-(3-methoxy-4-methylpiperidin-1-yl)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopropyl-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine
CID 102965354
1-[(3S,4R)-3-methoxy-4-methylpiperidin-1-yl]-3-[(3S,4S)-3-methoxy-4-methylpiperidin-1-yl]propan-2-ol
CID 124829258
ethyl 2-amino-3-(3-methoxy-4-methylpiperidin-1-yl)propanoate
CID 102966332
2-(3-methoxy-4-methylpiperidin-1-yl)-1-(4-methylphenyl)ethanamine
CID 102965335
1-(3-methoxy-4-methylpiperidin-1-yl)-N-methylbutan-2-amine
CID 102965443
2-(3-methoxy-4-methylpiperidin-1-yl)ethanethiol
CID 102969172
4-(3-methoxy-4-methylpiperidin-1-yl)butan-1-amine
CID 102956570
1-(3,5-dimethylphenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)-N-methylethanamine
CID 102965330
4-(3-methoxy-4-methylpiperidin-1-yl)-2-methylbutan-2-amine
CID 102963557
N-ethyl-4-(3-methoxy-4-methylpiperidin-1-yl)butan-2-amine
CID 102963478
ethyl 2-(cyclopropylamino)-3-(3-methoxy-4-methylpiperidin-1-yl)propanoate
CID 102966348
3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cyclopentan-1-amine
CID 102963518

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3-methoxy-4-methylpiperidin-1-yl)propan-2-amine?
The IUPAC name of (2S)-1-(3-methoxy-4-methylpiperidin-1-yl)propan-2-amine (CID 102965393) is (2S)-1-(3-methoxy-4-methylpiperidin-1-yl)propan-2-amine.
What is the SMILES notation for (2S)-1-(3-methoxy-4-methylpiperidin-1-yl)propan-2-amine?
The canonical SMILES for (2S)-1-(3-methoxy-4-methylpiperidin-1-yl)propan-2-amine is COC1CN(C[C@H](C)N)CCC1C.
What is the InChIKey of (2S)-1-(3-methoxy-4-methylpiperidin-1-yl)propan-2-amine?
The InChIKey is ZJRHPDYJMIICMT-KYHHOPLUSA-N. The full InChI is InChI=1S/C10H22N2O/c1-8-4-5-12(6-9(2)11)7-10(8)13-3/h8-10H,4-7,11H2,1-3H3/t8?,9-,10?/m0/s1.
What are the key properties of (2S)-1-(3-methoxy-4-methylpiperidin-1-yl)propan-2-amine?
(2S)-1-(3-methoxy-4-methylpiperidin-1-yl)propan-2-amine has a molecular weight of 186.30 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3-methoxy-4-methylpiperidin-1-yl)propan-2-amine is sourced from PubChem (CID 102965393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).