(2S,4S)-2-[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]-N-methylpiperidin-4-amine

C21H26N2O2 — CID 90666221

IUPAC(2S,4S)-2-[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]-N-methylpiperidin-4-amine
SMILESCN[C@H]1CCN[C@H]([C@@H]2COC(c3ccccc3)(c3ccccc3)O2)C1
InChIInChI=1S/C21H26N2O2/c1-22-18-12-13-23-19(14-18)20-15-24-21(25-20,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-20,22-23H,12-15H2,1H3/t18-,19-,20-/m0/s1
InChIKeySMLWSFIIKUKSNM-UFYCRDLUSA-N
MW338.45 g/mol
LogP2.64
Rot. Bonds4

About (2S,4S)-2-[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]-N-methylpiperidin-4-amine

(2S,4S)-2-[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]-N-methylpiperidin-4-amine (PubChem CID 90666221) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is (2S,4S)-2-[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name(2S,4S)-2-[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]-N-methylpiperidin-4-amine
PubChem CID90666221
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name(2S,4S)-2-[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]-N-methylpiperidin-4-amine
SMILESCN[C@H]1CCN[C@H]([C@@H]2COC(c3ccccc3)(c3ccccc3)O2)C1
InChIInChI=1S/C21H26N2O2/c1-22-18-12-13-23-19(14-18)20-15-24-21(25-20,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-20,22-23H,12-15H2,1H3/t18-,19-,20-/m0/s1
InChIKeySMLWSFIIKUKSNM-UFYCRDLUSA-N
XLogP2.64
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]-N-methylpiperidin-4-amine?
The IUPAC name of (2S,4S)-2-[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]-N-methylpiperidin-4-amine (CID 90666221) is (2S,4S)-2-[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]-N-methylpiperidin-4-amine.
What is the SMILES notation for (2S,4S)-2-[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]-N-methylpiperidin-4-amine?
The canonical SMILES for (2S,4S)-2-[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]-N-methylpiperidin-4-amine is CN[C@H]1CCN[C@H]([C@@H]2COC(c3ccccc3)(c3ccccc3)O2)C1.
What is the InChIKey of (2S,4S)-2-[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]-N-methylpiperidin-4-amine?
The InChIKey is SMLWSFIIKUKSNM-UFYCRDLUSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-22-18-12-13-23-19(14-18)20-15-24-21(25-20,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-20,22-23H,12-15H2,1H3/t18-,19-,20-/m0/s1.
What are the key properties of (2S,4S)-2-[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]-N-methylpiperidin-4-amine?
(2S,4S)-2-[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]-N-methylpiperidin-4-amine has a molecular weight of 338.45 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]-N-methylpiperidin-4-amine is sourced from PubChem (CID 90666221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).