(2R,6S)-2,6-dimethyl-4-(1-phenylpyrrolidin-3-yl)morpholine

C16H24N2O — CID 131936440

IUPAC(2R,6S)-2,6-dimethyl-4-(1-phenylpyrrolidin-3-yl)morpholine
SMILESC[C@@H]1CN(C2CCN(c3ccccc3)C2)C[C@H](C)O1
InChIInChI=1S/C16H24N2O/c1-13-10-18(11-14(2)19-13)16-8-9-17(12-16)15-6-4-3-5-7-15/h3-7,13-14,16H,8-12H2,1-2H3/t13-,14+,16?
InChIKeyQLROFEVTTNZHPP-MZBDJJRSSA-N
MW260.38 g/mol
LogP2.37
Rot. Bonds2

About (2R,6S)-2,6-dimethyl-4-(1-phenylpyrrolidin-3-yl)morpholine

(2R,6S)-2,6-dimethyl-4-(1-phenylpyrrolidin-3-yl)morpholine (PubChem CID 131936440) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is (2R,6S)-2,6-dimethyl-4-(1-phenylpyrrolidin-3-yl)morpholine.

Molecular Properties

Compound Name(2R,6S)-2,6-dimethyl-4-(1-phenylpyrrolidin-3-yl)morpholine
PubChem CID131936440
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name(2R,6S)-2,6-dimethyl-4-(1-phenylpyrrolidin-3-yl)morpholine
SMILESC[C@@H]1CN(C2CCN(c3ccccc3)C2)C[C@H](C)O1
InChIInChI=1S/C16H24N2O/c1-13-10-18(11-14(2)19-13)16-8-9-17(12-16)15-6-4-3-5-7-15/h3-7,13-14,16H,8-12H2,1-2H3/t13-,14+,16?
InChIKeyQLROFEVTTNZHPP-MZBDJJRSSA-N
XLogP2.37
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2,6-dimethyl-4-(1-phenylpyrrolidin-3-yl)morpholine?
The IUPAC name of (2R,6S)-2,6-dimethyl-4-(1-phenylpyrrolidin-3-yl)morpholine (CID 131936440) is (2R,6S)-2,6-dimethyl-4-(1-phenylpyrrolidin-3-yl)morpholine.
What is the SMILES notation for (2R,6S)-2,6-dimethyl-4-(1-phenylpyrrolidin-3-yl)morpholine?
The canonical SMILES for (2R,6S)-2,6-dimethyl-4-(1-phenylpyrrolidin-3-yl)morpholine is C[C@@H]1CN(C2CCN(c3ccccc3)C2)C[C@H](C)O1.
What is the InChIKey of (2R,6S)-2,6-dimethyl-4-(1-phenylpyrrolidin-3-yl)morpholine?
The InChIKey is QLROFEVTTNZHPP-MZBDJJRSSA-N. The full InChI is InChI=1S/C16H24N2O/c1-13-10-18(11-14(2)19-13)16-8-9-17(12-16)15-6-4-3-5-7-15/h3-7,13-14,16H,8-12H2,1-2H3/t13-,14+,16?.
What are the key properties of (2R,6S)-2,6-dimethyl-4-(1-phenylpyrrolidin-3-yl)morpholine?
(2R,6S)-2,6-dimethyl-4-(1-phenylpyrrolidin-3-yl)morpholine has a molecular weight of 260.38 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2,6-dimethyl-4-(1-phenylpyrrolidin-3-yl)morpholine is sourced from PubChem (CID 131936440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).