(1S)-1-[4-(3-methoxy-3-methylpiperidin-1-yl)phenyl]ethanamine

C15H24N2O — CID 107393087

IUPAC(1S)-1-[4-(3-methoxy-3-methylpiperidin-1-yl)phenyl]ethanamine
SMILESCOC1(C)CCCN(c2ccc([C@H](C)N)cc2)C1
InChIInChI=1S/C15H24N2O/c1-12(16)13-5-7-14(8-6-13)17-10-4-9-15(2,11-17)18-3/h5-8,12H,4,9-11,16H2,1-3H3/t12-,15?/m0/s1
InChIKeyWOWHMFXPAOZRBL-SFVWDYPZSA-N
MW248.37 g/mol
LogP2.71
Rot. Bonds3

About (1S)-1-[4-(3-methoxy-3-methylpiperidin-1-yl)phenyl]ethanamine

(1S)-1-[4-(3-methoxy-3-methylpiperidin-1-yl)phenyl]ethanamine (PubChem CID 107393087) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is (1S)-1-[4-(3-methoxy-3-methylpiperidin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[4-(3-methoxy-3-methylpiperidin-1-yl)phenyl]ethanamine
PubChem CID107393087
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name(1S)-1-[4-(3-methoxy-3-methylpiperidin-1-yl)phenyl]ethanamine
SMILESCOC1(C)CCCN(c2ccc([C@H](C)N)cc2)C1
InChIInChI=1S/C15H24N2O/c1-12(16)13-5-7-14(8-6-13)17-10-4-9-15(2,11-17)18-3/h5-8,12H,4,9-11,16H2,1-3H3/t12-,15?/m0/s1
InChIKeyWOWHMFXPAOZRBL-SFVWDYPZSA-N
XLogP2.71
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-(1-aminoethyl)-5-(3-methoxy-3-methylpiperidin-1-yl)phenol
CID 107393078
(1R)-1-[3-bromo-4-(3-methoxy-3-methylpiperidin-1-yl)phenyl]ethanamine
CID 107393114
1-[4-(azepan-1-yl)phenyl]ethanamine
CID 43188750
N-[[4-(3-methoxy-3-methylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 107393813
1-[4-[(1S)-1-aminoethyl]phenyl]-3-methylpyrrolidin-3-ol
CID 103356537
(1R)-1-[5-(3-methoxy-3-methylpiperidin-1-yl)-2-pyridinyl]ethanol
CID 107393509
1-[6-(3-methoxy-3-methylpiperidin-1-yl)-3-pyridinyl]ethanol
CID 107393565
1-[3-chloro-4-(3-methoxy-3-methylpiperidin-1-yl)phenyl]-N-methylethanamine
CID 107393135
2-[4-(3-methoxy-3-methylpiperidin-1-yl)-2-methylphenyl]ethanamine
CID 107395907
4-(3-methoxy-3-methylpiperidin-1-yl)-2-methylbenzoic acid
CID 107393006
(1S)-1-[2-(3-methoxy-3-methylpiperidin-1-yl)phenyl]propan-1-amine
CID 107393064
(1S)-1-[2-(3-methoxy-3-methylpiperidin-1-yl)-4-pyridinyl]ethanol
CID 107393526

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(3-methoxy-3-methylpiperidin-1-yl)phenyl]ethanamine?
The IUPAC name of (1S)-1-[4-(3-methoxy-3-methylpiperidin-1-yl)phenyl]ethanamine (CID 107393087) is (1S)-1-[4-(3-methoxy-3-methylpiperidin-1-yl)phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[4-(3-methoxy-3-methylpiperidin-1-yl)phenyl]ethanamine?
The canonical SMILES for (1S)-1-[4-(3-methoxy-3-methylpiperidin-1-yl)phenyl]ethanamine is COC1(C)CCCN(c2ccc([C@H](C)N)cc2)C1.
What is the InChIKey of (1S)-1-[4-(3-methoxy-3-methylpiperidin-1-yl)phenyl]ethanamine?
The InChIKey is WOWHMFXPAOZRBL-SFVWDYPZSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12(16)13-5-7-14(8-6-13)17-10-4-9-15(2,11-17)18-3/h5-8,12H,4,9-11,16H2,1-3H3/t12-,15?/m0/s1.
What are the key properties of (1S)-1-[4-(3-methoxy-3-methylpiperidin-1-yl)phenyl]ethanamine?
(1S)-1-[4-(3-methoxy-3-methylpiperidin-1-yl)phenyl]ethanamine has a molecular weight of 248.37 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(3-methoxy-3-methylpiperidin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 107393087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).