3-[(3S,5S)-2,2-dimethyl-5-phenylpyrrolidin-3-yl]pyridine

C17H20N2 — CID 3058142

IUPAC3-[(3S,5S)-2,2-dimethyl-5-phenylpyrrolidin-3-yl]pyridine
SMILESCC1(C)N[C@H](c2ccccc2)C[C@H]1c1cccnc1
InChIInChI=1S/C17H20N2/c1-17(2)15(14-9-6-10-18-12-14)11-16(19-17)13-7-4-3-5-8-13/h3-10,12,15-16,19H,11H2,1-2H3/t15-,16-/m0/s1
InChIKeyKUDZMDZEKPJSQU-HOTGVXAUSA-N
MW252.36 g/mol
LogP3.68
Rot. Bonds2

About 3-[(3S,5S)-2,2-dimethyl-5-phenylpyrrolidin-3-yl]pyridine

3-[(3S,5S)-2,2-dimethyl-5-phenylpyrrolidin-3-yl]pyridine (PubChem CID 3058142) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-[(3S,5S)-2,2-dimethyl-5-phenylpyrrolidin-3-yl]pyridine.

Molecular Properties

Compound Name3-[(3S,5S)-2,2-dimethyl-5-phenylpyrrolidin-3-yl]pyridine
PubChem CID3058142
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name3-[(3S,5S)-2,2-dimethyl-5-phenylpyrrolidin-3-yl]pyridine
SMILESCC1(C)N[C@H](c2ccccc2)C[C@H]1c1cccnc1
InChIInChI=1S/C17H20N2/c1-17(2)15(14-9-6-10-18-12-14)11-16(19-17)13-7-4-3-5-8-13/h3-10,12,15-16,19H,11H2,1-2H3/t15-,16-/m0/s1
InChIKeyKUDZMDZEKPJSQU-HOTGVXAUSA-N
XLogP3.68
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 89594
Triprolidine
CID 5282443
Anabasine
CID 205586
(+-)-Dimethindene
CID 21855
Epibatidine
CID 854023
Nornicotine
CID 91462
3-(1-Methylpyrrolidin-2-yl)pyridine
CID 942
Pheniramine
CID 4761
3-(Pyrrolidin-2-yl)pyridine
CID 412
(+-)-Anabasine
CID 2181
Myosmine
CID 442649
Indalpine
CID 44668

Frequently Asked Questions

What is the IUPAC name of 3-[(3S,5S)-2,2-dimethyl-5-phenylpyrrolidin-3-yl]pyridine?
The IUPAC name of 3-[(3S,5S)-2,2-dimethyl-5-phenylpyrrolidin-3-yl]pyridine (CID 3058142) is 3-[(3S,5S)-2,2-dimethyl-5-phenylpyrrolidin-3-yl]pyridine.
What is the SMILES notation for 3-[(3S,5S)-2,2-dimethyl-5-phenylpyrrolidin-3-yl]pyridine?
The canonical SMILES for 3-[(3S,5S)-2,2-dimethyl-5-phenylpyrrolidin-3-yl]pyridine is CC1(C)N[C@H](c2ccccc2)C[C@H]1c1cccnc1.
What is the InChIKey of 3-[(3S,5S)-2,2-dimethyl-5-phenylpyrrolidin-3-yl]pyridine?
The InChIKey is KUDZMDZEKPJSQU-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H20N2/c1-17(2)15(14-9-6-10-18-12-14)11-16(19-17)13-7-4-3-5-8-13/h3-10,12,15-16,19H,11H2,1-2H3/t15-,16-/m0/s1.
What are the key properties of 3-[(3S,5S)-2,2-dimethyl-5-phenylpyrrolidin-3-yl]pyridine?
3-[(3S,5S)-2,2-dimethyl-5-phenylpyrrolidin-3-yl]pyridine has a molecular weight of 252.36 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S,5S)-2,2-dimethyl-5-phenylpyrrolidin-3-yl]pyridine is sourced from PubChem (CID 3058142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).