4-[(3S,5S)-2,2-dimethyl-5-phenylpyrrolidin-3-yl]pyridine;dihydrochloride

C17H22Cl2N2 — CID 3045813

IUPAC4-[(3S,5S)-2,2-dimethyl-5-phenylpyrrolidin-3-yl]pyridine;dihydrochloride
SMILESCC1(C)N[C@H](c2ccccc2)C[C@H]1c1ccncc1.Cl.Cl
InChIInChI=1S/C17H20N2.2ClH/c1-17(2)15(13-8-10-18-11-9-13)12-16(19-17)14-6-4-3-5-7-14;;/h3-11,15-16,19H,12H2,1-2H3;2*1H/t15-,16-;;/m0../s1
InChIKeyAISKVWZICAIYQV-SXBSVMRRSA-N
MW325.28 g/mol
LogP4.52
Rot. Bonds2

About 4-[(3S,5S)-2,2-dimethyl-5-phenylpyrrolidin-3-yl]pyridine;dihydrochloride

4-[(3S,5S)-2,2-dimethyl-5-phenylpyrrolidin-3-yl]pyridine;dihydrochloride (PubChem CID 3045813) has the molecular formula C17H22Cl2N2 and a molecular weight of 325.28 g/mol. Its IUPAC name is 4-[(3S,5S)-2,2-dimethyl-5-phenylpyrrolidin-3-yl]pyridine;dihydrochloride.

Molecular Properties

Compound Name4-[(3S,5S)-2,2-dimethyl-5-phenylpyrrolidin-3-yl]pyridine;dihydrochloride
PubChem CID3045813
Molecular FormulaC17H22Cl2N2
Molecular Weight325.28 g/mol
Exact Mass324.12
IUPAC Name4-[(3S,5S)-2,2-dimethyl-5-phenylpyrrolidin-3-yl]pyridine;dihydrochloride
SMILESCC1(C)N[C@H](c2ccccc2)C[C@H]1c1ccncc1.Cl.Cl
InChIInChI=1S/C17H20N2.2ClH/c1-17(2)15(13-8-10-18-11-9-13)12-16(19-17)14-6-4-3-5-7-14;;/h3-11,15-16,19H,12H2,1-2H3;2*1H/t15-,16-;;/m0../s1
InChIKeyAISKVWZICAIYQV-SXBSVMRRSA-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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Related Compounds

Nicotine
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
Triprolidine Hydrochloride Anhydrous
CID 5702129
4-Phenylpyridine
CID 13651

Frequently Asked Questions

What is the IUPAC name of 4-[(3S,5S)-2,2-dimethyl-5-phenylpyrrolidin-3-yl]pyridine;dihydrochloride?
The IUPAC name of 4-[(3S,5S)-2,2-dimethyl-5-phenylpyrrolidin-3-yl]pyridine;dihydrochloride (CID 3045813) is 4-[(3S,5S)-2,2-dimethyl-5-phenylpyrrolidin-3-yl]pyridine;dihydrochloride.
What is the SMILES notation for 4-[(3S,5S)-2,2-dimethyl-5-phenylpyrrolidin-3-yl]pyridine;dihydrochloride?
The canonical SMILES for 4-[(3S,5S)-2,2-dimethyl-5-phenylpyrrolidin-3-yl]pyridine;dihydrochloride is CC1(C)N[C@H](c2ccccc2)C[C@H]1c1ccncc1.Cl.Cl.
What is the InChIKey of 4-[(3S,5S)-2,2-dimethyl-5-phenylpyrrolidin-3-yl]pyridine;dihydrochloride?
The InChIKey is AISKVWZICAIYQV-SXBSVMRRSA-N. The full InChI is InChI=1S/C17H20N2.2ClH/c1-17(2)15(13-8-10-18-11-9-13)12-16(19-17)14-6-4-3-5-7-14;;/h3-11,15-16,19H,12H2,1-2H3;2*1H/t15-,16-;;/m0../s1.
What are the key properties of 4-[(3S,5S)-2,2-dimethyl-5-phenylpyrrolidin-3-yl]pyridine;dihydrochloride?
4-[(3S,5S)-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 4-[(3S,5S)-2,2-dimethyl-5-phenylpyrrolidin-3-yl]pyridine;dihydrochloride is sourced from PubChem (CID 3045813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).