2-(4-pyrrolidin-3-ylphenyl)pyrrolidine

C14H20N2 — CID 116988431

IUPAC2-(4-pyrrolidin-3-ylphenyl)pyrrolidine
SMILESc1cc(C2CCCN2)ccc1C1CCNC1
InChIInChI=1S/C14H20N2/c1-2-14(16-8-1)12-5-3-11(4-6-12)13-7-9-15-10-13/h3-6,13-16H,1-2,7-10H2
InChIKeyQNEVZSLLYVNAKZ-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.19
Rot. Bonds2

About 2-(4-pyrrolidin-3-ylphenyl)pyrrolidine

2-(4-pyrrolidin-3-ylphenyl)pyrrolidine (PubChem CID 116988431) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 2-(4-pyrrolidin-3-ylphenyl)pyrrolidine.

Molecular Properties

Compound Name2-(4-pyrrolidin-3-ylphenyl)pyrrolidine
PubChem CID116988431
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name2-(4-pyrrolidin-3-ylphenyl)pyrrolidine
SMILESc1cc(C2CCCN2)ccc1C1CCNC1
InChIInChI=1S/C14H20N2/c1-2-14(16-8-1)12-5-3-11(4-6-12)13-7-9-15-10-13/h3-6,13-16H,1-2,7-10H2
InChIKeyQNEVZSLLYVNAKZ-UHFFFAOYSA-N
XLogP2.19
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(4-chlorophenyl)pyrrolidine
CID 7009380
(2R)-2-(4-methylphenyl)pyrrolidine
CID 7047871
(3S)-3-(4-chlorophenyl)pyrrolidine;hydrochloride
CID 71742220
(2R)-2-[4-(4-methylphenyl)phenyl]pyrrolidine
CID 66519668
2-(4-chlorophenyl)pyrrolidine;ethane
CID 177172941
2-[4-(4-methylcyclohexyl)phenyl]piperidine
CID 117397291
1-(4-pyrrolidin-2-ylphenyl)cyclopropan-1-ol
CID 117116735
ethane;3-phenylpyrrolidine
CID 91032726
4-pyrrolidin-3-ylbenzaldehyde
CID 84766958
5-(4-fluorophenyl)-1,4-diazocane
CID 58295234
(3S)-3-[4-(trifluoromethyl)phenyl]pyrrolidine
CID 71742225
2-[(4-pyrrolidin-3-ylphenyl)methyl]piperidine
CID 116988436

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrrolidin-3-ylphenyl)pyrrolidine?
The IUPAC name of 2-(4-pyrrolidin-3-ylphenyl)pyrrolidine (CID 116988431) is 2-(4-pyrrolidin-3-ylphenyl)pyrrolidine.
What is the SMILES notation for 2-(4-pyrrolidin-3-ylphenyl)pyrrolidine?
The canonical SMILES for 2-(4-pyrrolidin-3-ylphenyl)pyrrolidine is c1cc(C2CCCN2)ccc1C1CCNC1.
What is the InChIKey of 2-(4-pyrrolidin-3-ylphenyl)pyrrolidine?
The InChIKey is QNEVZSLLYVNAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-2-14(16-8-1)12-5-3-11(4-6-12)13-7-9-15-10-13/h3-6,13-16H,1-2,7-10H2.
What are the key properties of 2-(4-pyrrolidin-3-ylphenyl)pyrrolidine?
2-(4-pyrrolidin-3-ylphenyl)pyrrolidine has a molecular weight of 216.33 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrrolidin-3-ylphenyl)pyrrolidine is sourced from PubChem (CID 116988431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).