1-(4-pyrrolidin-2-ylphenyl)pyrrolidine;hydrochloride

C14H21ClN2 — CID 163230247

IUPAC1-(4-pyrrolidin-2-ylphenyl)pyrrolidine;hydrochloride
SMILESCl.c1cc(N2CCCC2)ccc1C1CCCN1
InChIInChI=1S/C14H20N2.ClH/c1-2-11-16(10-1)13-7-5-12(6-8-13)14-4-3-9-15-14;/h5-8,14-15H,1-4,9-11H2;1H
InChIKeyXUNBOTYKMLZWQS-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.13
Rot. Bonds2

About 1-(4-pyrrolidin-2-ylphenyl)pyrrolidine;hydrochloride

1-(4-pyrrolidin-2-ylphenyl)pyrrolidine;hydrochloride (PubChem CID 163230247) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 1-(4-pyrrolidin-2-ylphenyl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name1-(4-pyrrolidin-2-ylphenyl)pyrrolidine;hydrochloride
PubChem CID163230247
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name1-(4-pyrrolidin-2-ylphenyl)pyrrolidine;hydrochloride
SMILESCl.c1cc(N2CCCC2)ccc1C1CCCN1
InChIInChI=1S/C14H20N2.ClH/c1-2-11-16(10-1)13-7-5-12(6-8-13)14-4-3-9-15-14;/h5-8,14-15H,1-4,9-11H2;1H
InChIKeyXUNBOTYKMLZWQS-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-(4-pyrrolidin-2-ylphenyl)piperazin-2-one
CID 117365564
1-methyl-4-(4-pyrrolidin-2-ylphenyl)piperazin-2-one
CID 117402552
1-[(4-pyrrolidin-2-ylphenyl)methyl]piperidine
CID 58597255
(2R)-2-(4-methylphenyl)pyrrolidine
CID 7047871
(2S)-2-(4-chlorophenyl)pyrrolidine
CID 7009380
4-[(2R)-pyrrolidin-2-yl]pyridine;hydrochloride
CID 171195835
1-[4-[(3R)-pyrrolidin-3-yl]phenyl]pyrrolidine
CID 96781240
(4R)-4-(4-pyrrolidin-1-ylphenyl)imidazolidin-2-one
CID 171252661
2-(4-chlorophenyl)pyrrolidine;ethane
CID 177172941
(2R)-2-[4-(4-methylphenyl)phenyl]pyrrolidine
CID 66519668
(2R)-2-(4-chlorophenyl)piperidine;hydrochloride
CID 155903197
5-chloro-1-(4-pyrrolidin-2-ylphenyl)pyrazole
CID 117372547

Frequently Asked Questions

What is the IUPAC name of 1-(4-pyrrolidin-2-ylphenyl)pyrrolidine;hydrochloride?
The IUPAC name of 1-(4-pyrrolidin-2-ylphenyl)pyrrolidine;hydrochloride (CID 163230247) is 1-(4-pyrrolidin-2-ylphenyl)pyrrolidine;hydrochloride.
What is the SMILES notation for 1-(4-pyrrolidin-2-ylphenyl)pyrrolidine;hydrochloride?
The canonical SMILES for 1-(4-pyrrolidin-2-ylphenyl)pyrrolidine;hydrochloride is Cl.c1cc(N2CCCC2)ccc1C1CCCN1.
What is the InChIKey of 1-(4-pyrrolidin-2-ylphenyl)pyrrolidine;hydrochloride?
The InChIKey is XUNBOTYKMLZWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2.ClH/c1-2-11-16(10-1)13-7-5-12(6-8-13)14-4-3-9-15-14;/h5-8,14-15H,1-4,9-11H2;1H.
What are the key properties of 1-(4-pyrrolidin-2-ylphenyl)pyrrolidine;hydrochloride?
1-(4-pyrrolidin-2-ylphenyl)pyrrolidine;hydrochloride has a molecular weight of 252.79 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pyrrolidin-2-ylphenyl)pyrrolidine;hydrochloride is sourced from PubChem (CID 163230247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).