(3S)-N-(2-methoxyethyl)-N-methyl-1-phenylpiperidin-3-amine

C15H24N2O — CID 96567567

IUPAC(3S)-N-(2-methoxyethyl)-N-methyl-1-phenylpiperidin-3-amine
SMILESCOCCN(C)[C@H]1CCCN(c2ccccc2)C1
InChIInChI=1S/C15H24N2O/c1-16(11-12-18-2)15-9-6-10-17(13-15)14-7-4-3-5-8-14/h3-5,7-8,15H,6,9-13H2,1-2H3/t15-/m0/s1
InChIKeyIUFOBOFPMMFBMU-HNNXBMFYSA-N
MW248.37 g/mol
LogP2.23
Rot. Bonds5

About (3S)-N-(2-methoxyethyl)-N-methyl-1-phenylpiperidin-3-amine

(3S)-N-(2-methoxyethyl)-N-methyl-1-phenylpiperidin-3-amine (PubChem CID 96567567) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is (3S)-N-(2-methoxyethyl)-N-methyl-1-phenylpiperidin-3-amine.

Molecular Properties

Compound Name(3S)-N-(2-methoxyethyl)-N-methyl-1-phenylpiperidin-3-amine
PubChem CID96567567
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name(3S)-N-(2-methoxyethyl)-N-methyl-1-phenylpiperidin-3-amine
SMILESCOCCN(C)[C@H]1CCCN(c2ccccc2)C1
InChIInChI=1S/C15H24N2O/c1-16(11-12-18-2)15-9-6-10-17(13-15)14-7-4-3-5-8-14/h3-5,7-8,15H,6,9-13H2,1-2H3/t15-/m0/s1
InChIKeyIUFOBOFPMMFBMU-HNNXBMFYSA-N
XLogP2.23
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 29521
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CID 847768

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-methoxyethyl)-N-methyl-1-phenylpiperidin-3-amine?
The IUPAC name of (3S)-N-(2-methoxyethyl)-N-methyl-1-phenylpiperidin-3-amine (CID 96567567) is (3S)-N-(2-methoxyethyl)-N-methyl-1-phenylpiperidin-3-amine.
What is the SMILES notation for (3S)-N-(2-methoxyethyl)-N-methyl-1-phenylpiperidin-3-amine?
The canonical SMILES for (3S)-N-(2-methoxyethyl)-N-methyl-1-phenylpiperidin-3-amine is COCCN(C)[C@H]1CCCN(c2ccccc2)C1.
What is the InChIKey of (3S)-N-(2-methoxyethyl)-N-methyl-1-phenylpiperidin-3-amine?
The InChIKey is IUFOBOFPMMFBMU-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-16(11-12-18-2)15-9-6-10-17(13-15)14-7-4-3-5-8-14/h3-5,7-8,15H,6,9-13H2,1-2H3/t15-/m0/s1.
What are the key properties of (3S)-N-(2-methoxyethyl)-N-methyl-1-phenylpiperidin-3-amine?
(3S)-N-(2-methoxyethyl)-N-methyl-1-phenylpiperidin-3-amine has a molecular weight of 248.37 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-methoxyethyl)-N-methyl-1-phenylpiperidin-3-amine is sourced from PubChem (CID 96567567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).