(3R,5R)-5-(4-methoxyphenyl)-1-methylpiperidin-3-amine

C13H20N2O — CID 170701447

IUPAC(3R,5R)-5-(4-methoxyphenyl)-1-methylpiperidin-3-amine
SMILESCOc1ccc([C@H]2C[C@@H](N)CN(C)C2)cc1
InChIInChI=1S/C13H20N2O/c1-15-8-11(7-12(14)9-15)10-3-5-13(16-2)6-4-10/h3-6,11-12H,7-9,14H2,1-2H3/t11-,12+/m0/s1
InChIKeyWLVBQGKUGNBAFZ-NWDGAFQWSA-N
MW220.32 g/mol
LogP1.44
Rot. Bonds2

About (3R,5R)-5-(4-methoxyphenyl)-1-methylpiperidin-3-amine

(3R,5R)-5-(4-methoxyphenyl)-1-methylpiperidin-3-amine (PubChem CID 170701447) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is (3R,5R)-5-(4-methoxyphenyl)-1-methylpiperidin-3-amine.

Molecular Properties

Compound Name(3R,5R)-5-(4-methoxyphenyl)-1-methylpiperidin-3-amine
PubChem CID170701447
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name(3R,5R)-5-(4-methoxyphenyl)-1-methylpiperidin-3-amine
SMILESCOc1ccc([C@H]2C[C@@H](N)CN(C)C2)cc1
InChIInChI=1S/C13H20N2O/c1-15-8-11(7-12(14)9-15)10-3-5-13(16-2)6-4-10/h3-6,11-12H,7-9,14H2,1-2H3/t11-,12+/m0/s1
InChIKeyWLVBQGKUGNBAFZ-NWDGAFQWSA-N
XLogP1.44
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-(4-methoxyphenyl)-1-methylpiperidin-3-amine?
The IUPAC name of (3R,5R)-5-(4-methoxyphenyl)-1-methylpiperidin-3-amine (CID 170701447) is (3R,5R)-5-(4-methoxyphenyl)-1-methylpiperidin-3-amine.
What is the SMILES notation for (3R,5R)-5-(4-methoxyphenyl)-1-methylpiperidin-3-amine?
The canonical SMILES for (3R,5R)-5-(4-methoxyphenyl)-1-methylpiperidin-3-amine is COc1ccc([C@H]2C[C@@H](N)CN(C)C2)cc1.
What is the InChIKey of (3R,5R)-5-(4-methoxyphenyl)-1-methylpiperidin-3-amine?
The InChIKey is WLVBQGKUGNBAFZ-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H20N2O/c1-15-8-11(7-12(14)9-15)10-3-5-13(16-2)6-4-10/h3-6,11-12H,7-9,14H2,1-2H3/t11-,12+/m0/s1.
What are the key properties of (3R,5R)-5-(4-methoxyphenyl)-1-methylpiperidin-3-amine?
(3R,5R)-5-(4-methoxyphenyl)-1-methylpiperidin-3-amine has a molecular weight of 220.32 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-(4-methoxyphenyl)-1-methylpiperidin-3-amine is sourced from PubChem (CID 170701447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).