1-(2-chloro-5-pyrrolidin-1-ylphenyl)pyrrolidine

C14H19ClN2 — CID 23660792

IUPAC1-(2-chloro-5-pyrrolidin-1-ylphenyl)pyrrolidine
SMILESClc1ccc(N2CCCC2)cc1N1CCCC1
InChIInChI=1S/C14H19ClN2/c15-13-6-5-12(16-7-1-2-8-16)11-14(13)17-9-3-4-10-17/h5-6,11H,1-4,7-10H2
InChIKeyTUSZXDMANLOITL-UHFFFAOYSA-N
MW250.77 g/mol
LogP3.54
Rot. Bonds2

About 1-(2-chloro-5-pyrrolidin-1-ylphenyl)pyrrolidine

1-(2-chloro-5-pyrrolidin-1-ylphenyl)pyrrolidine (PubChem CID 23660792) has the molecular formula C14H19ClN2 and a molecular weight of 250.77 g/mol. Its IUPAC name is 1-(2-chloro-5-pyrrolidin-1-ylphenyl)pyrrolidine.

Molecular Properties

Compound Name1-(2-chloro-5-pyrrolidin-1-ylphenyl)pyrrolidine
PubChem CID23660792
Molecular FormulaC14H19ClN2
Molecular Weight250.77 g/mol
Exact Mass250.12
IUPAC Name1-(2-chloro-5-pyrrolidin-1-ylphenyl)pyrrolidine
SMILESClc1ccc(N2CCCC2)cc1N1CCCC1
InChIInChI=1S/C14H19ClN2/c15-13-6-5-12(16-7-1-2-8-16)11-14(13)17-9-3-4-10-17/h5-6,11H,1-4,7-10H2
InChIKeyTUSZXDMANLOITL-UHFFFAOYSA-N
XLogP3.54
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-di(piperidin-1-yl)phenol
CID 130450866
2-chloro-4-pyrrolidin-1-ylbenzaldehyde
CID 7148620
4-chloro-3-pyrrolidin-1-ylbenzoic acid
CID 7148434
1-(2,4,5-trichlorophenyl)pyrrolidine
CID 168512071
4-chloro-3-piperidin-1-ylbenzoic acid
CID 7148438
N-(2-chloro-5-pyrrolidin-1-ylphenyl)methanesulfonamide
CID 110361942
2-chloro-4-piperidin-1-ylbenzaldehyde;hydrochloride
CID 44890760
1-(2-chloro-5-nitrophenyl)pyrrolidine
CID 673948
2-chloro-N-[2,4-di(piperidin-1-yl)phenyl]benzamide
CID 2954012
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
1-(3-chlorophenyl)azonane
CID 145391535
(4-chloro-3-pyrrolidin-1-ylphenyl)-(4-methylphenyl)methanone
CID 168515724

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-pyrrolidin-1-ylphenyl)pyrrolidine?
The IUPAC name of 1-(2-chloro-5-pyrrolidin-1-ylphenyl)pyrrolidine (CID 23660792) is 1-(2-chloro-5-pyrrolidin-1-ylphenyl)pyrrolidine.
What is the SMILES notation for 1-(2-chloro-5-pyrrolidin-1-ylphenyl)pyrrolidine?
The canonical SMILES for 1-(2-chloro-5-pyrrolidin-1-ylphenyl)pyrrolidine is Clc1ccc(N2CCCC2)cc1N1CCCC1.
What is the InChIKey of 1-(2-chloro-5-pyrrolidin-1-ylphenyl)pyrrolidine?
The InChIKey is TUSZXDMANLOITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2/c15-13-6-5-12(16-7-1-2-8-16)11-14(13)17-9-3-4-10-17/h5-6,11H,1-4,7-10H2.
What are the key properties of 1-(2-chloro-5-pyrrolidin-1-ylphenyl)pyrrolidine?
1-(2-chloro-5-pyrrolidin-1-ylphenyl)pyrrolidine has a molecular weight of 250.77 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-pyrrolidin-1-ylphenyl)pyrrolidine is sourced from PubChem (CID 23660792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).