2-[(3R,5R)-2,2-dimethyl-5-phenylpyrrolidin-3-yl]pyridine;dihydrochloride

C17H22Cl2N2 — CID 3045821

IUPAC2-[(3R,5R)-2,2-dimethyl-5-phenylpyrrolidin-3-yl]pyridine;dihydrochloride
SMILESCC1(C)N[C@@H](c2ccccc2)C[C@H]1c1ccccn1.Cl.Cl
InChIInChI=1S/C17H20N2.2ClH/c1-17(2)14(15-10-6-7-11-18-15)12-16(19-17)13-8-4-3-5-9-13;;/h3-11,14,16,19H,12H2,1-2H3;2*1H/t14-,16+;;/m0../s1
InChIKeyGUTHJYRCORPUBF-HSAGCVDLSA-N
MW325.28 g/mol
LogP4.52
Rot. Bonds2

About 2-[(3R,5R)-2,2-dimethyl-5-phenylpyrrolidin-3-yl]pyridine;dihydrochloride

2-[(3R,5R)-2,2-dimethyl-5-phenylpyrrolidin-3-yl]pyridine;dihydrochloride (PubChem CID 3045821) has the molecular formula C17H22Cl2N2 and a molecular weight of 325.28 g/mol. Its IUPAC name is 2-[(3R,5R)-2,2-dimethyl-5-phenylpyrrolidin-3-yl]pyridine;dihydrochloride.

Molecular Properties

Compound Name2-[(3R,5R)-2,2-dimethyl-5-phenylpyrrolidin-3-yl]pyridine;dihydrochloride
PubChem CID3045821
Molecular FormulaC17H22Cl2N2
Molecular Weight325.28 g/mol
Exact Mass324.12
IUPAC Name2-[(3R,5R)-2,2-dimethyl-5-phenylpyrrolidin-3-yl]pyridine;dihydrochloride
SMILESCC1(C)N[C@@H](c2ccccc2)C[C@H]1c1ccccn1.Cl.Cl
InChIInChI=1S/C17H20N2.2ClH/c1-17(2)14(15-10-6-7-11-18-15)12-16(19-17)13-8-4-3-5-9-13;;/h3-11,14,16,19H,12H2,1-2H3;2*1H/t14-,16+;;/m0../s1
InChIKeyGUTHJYRCORPUBF-HSAGCVDLSA-N
XLogP4.52
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.28
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R,5R)-2,2-dimethyl-5-phenylpyrrolidin-3-yl]pyridine;dihydrochloride?
The IUPAC name of 2-[(3R,5R)-2,2-dimethyl-5-phenylpyrrolidin-3-yl]pyridine;dihydrochloride (CID 3045821) is 2-[(3R,5R)-2,2-dimethyl-5-phenylpyrrolidin-3-yl]pyridine;dihydrochloride.
What is the SMILES notation for 2-[(3R,5R)-2,2-dimethyl-5-phenylpyrrolidin-3-yl]pyridine;dihydrochloride?
The canonical SMILES for 2-[(3R,5R)-2,2-dimethyl-5-phenylpyrrolidin-3-yl]pyridine;dihydrochloride is CC1(C)N[C@@H](c2ccccc2)C[C@H]1c1ccccn1.Cl.Cl.
What is the InChIKey of 2-[(3R,5R)-2,2-dimethyl-5-phenylpyrrolidin-3-yl]pyridine;dihydrochloride?
The InChIKey is GUTHJYRCORPUBF-HSAGCVDLSA-N. The full InChI is InChI=1S/C17H20N2.2ClH/c1-17(2)14(15-10-6-7-11-18-15)12-16(19-17)13-8-4-3-5-9-13;;/h3-11,14,16,19H,12H2,1-2H3;2*1H/t14-,16+;;/m0../s1.
What are the key properties of 2-[(3R,5R)-2,2-dimethyl-5-phenylpyrrolidin-3-yl]pyridine;dihydrochloride?
2-[(3R,5R)-2,2-dimethyl-5-phenylpyrrolidin-3-yl]pyridine;dihydrochloride has a molecular weight of 325.28 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,5R)-2,2-dimethyl-5-phenylpyrrolidin-3-yl]pyridine;dihydrochloride is sourced from PubChem (CID 3045821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).