1-[1-(4-chlorophenyl)pentyl]pyrrolidine;hydrochloride

C15H23Cl2N — CID 3057476

IUPAC1-[1-(4-chlorophenyl)pentyl]pyrrolidine;hydrochloride
SMILESCCCCC(c1ccc(Cl)cc1)N1CCCC1.Cl
InChIInChI=1S/C15H22ClN.ClH/c1-2-3-6-15(17-11-4-5-12-17)13-7-9-14(16)10-8-13;/h7-10,15H,2-6,11-12H2,1H3;1H
InChIKeyXYDKHUVHDACDKI-UHFFFAOYSA-N
MW288.26 g/mol
LogP5.09
Rot. Bonds5

About 1-[1-(4-chlorophenyl)pentyl]pyrrolidine;hydrochloride

1-[1-(4-chlorophenyl)pentyl]pyrrolidine;hydrochloride (PubChem CID 3057476) has the molecular formula C15H23Cl2N and a molecular weight of 288.26 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)pentyl]pyrrolidine;hydrochloride.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)pentyl]pyrrolidine;hydrochloride
PubChem CID3057476
Molecular FormulaC15H23Cl2N
Molecular Weight288.26 g/mol
Exact Mass287.12
IUPAC Name1-[1-(4-chlorophenyl)pentyl]pyrrolidine;hydrochloride
SMILESCCCCC(c1ccc(Cl)cc1)N1CCCC1.Cl
InChIInChI=1S/C15H22ClN.ClH/c1-2-3-6-15(17-11-4-5-12-17)13-7-9-14(16)10-8-13;/h7-10,15H,2-6,11-12H2,1H3;1H
InChIKeyXYDKHUVHDACDKI-UHFFFAOYSA-N
XLogP5.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.26
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)pentyl]pyrrolidine;hydrochloride?
The IUPAC name of 1-[1-(4-chlorophenyl)pentyl]pyrrolidine;hydrochloride (CID 3057476) is 1-[1-(4-chlorophenyl)pentyl]pyrrolidine;hydrochloride.
What is the SMILES notation for 1-[1-(4-chlorophenyl)pentyl]pyrrolidine;hydrochloride?
The canonical SMILES for 1-[1-(4-chlorophenyl)pentyl]pyrrolidine;hydrochloride is CCCCC(c1ccc(Cl)cc1)N1CCCC1.Cl.
What is the InChIKey of 1-[1-(4-chlorophenyl)pentyl]pyrrolidine;hydrochloride?
The InChIKey is XYDKHUVHDACDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN.ClH/c1-2-3-6-15(17-11-4-5-12-17)13-7-9-14(16)10-8-13;/h7-10,15H,2-6,11-12H2,1H3;1H.
What are the key properties of 1-[1-(4-chlorophenyl)pentyl]pyrrolidine;hydrochloride?
1-[1-(4-chlorophenyl)pentyl]pyrrolidine;hydrochloride has a molecular weight of 288.26 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)pentyl]pyrrolidine;hydrochloride is sourced from PubChem (CID 3057476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).