1-[[4-chloro-5-(4-chlorophenyl)-1H-pyrrol-2-yl]methyl]piperidine

C16H18Cl2N2 — CID 86052846

IUPAC1-[[4-chloro-5-(4-chlorophenyl)-1H-pyrrol-2-yl]methyl]piperidine
SMILESClc1ccc(-c2[nH]c(CN3CCCCC3)cc2Cl)cc1
InChIInChI=1S/C16H18Cl2N2/c17-13-6-4-12(5-7-13)16-15(18)10-14(19-16)11-20-8-2-1-3-9-20/h4-7,10,19H,1-3,8-9,11H2
InChIKeyHDTNRKIPWUWTAE-UHFFFAOYSA-N
MW309.24 g/mol
LogP4.97
Rot. Bonds3

About 1-[[4-chloro-5-(4-chlorophenyl)-1H-pyrrol-2-yl]methyl]piperidine

1-[[4-chloro-5-(4-chlorophenyl)-1H-pyrrol-2-yl]methyl]piperidine (PubChem CID 86052846) has the molecular formula C16H18Cl2N2 and a molecular weight of 309.24 g/mol. Its IUPAC name is 1-[[4-chloro-5-(4-chlorophenyl)-1H-pyrrol-2-yl]methyl]piperidine.

Molecular Properties

Compound Name1-[[4-chloro-5-(4-chlorophenyl)-1H-pyrrol-2-yl]methyl]piperidine
PubChem CID86052846
Molecular FormulaC16H18Cl2N2
Molecular Weight309.24 g/mol
Exact Mass308.08
IUPAC Name1-[[4-chloro-5-(4-chlorophenyl)-1H-pyrrol-2-yl]methyl]piperidine
SMILESClc1ccc(-c2[nH]c(CN3CCCCC3)cc2Cl)cc1
InChIInChI=1S/C16H18Cl2N2/c17-13-6-4-12(5-7-13)16-15(18)10-14(19-16)11-20-8-2-1-3-9-20/h4-7,10,19H,1-3,8-9,11H2
InChIKeyHDTNRKIPWUWTAE-UHFFFAOYSA-N
XLogP4.97
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.24
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-chloro-5-(4-chlorophenyl)-1H-pyrrol-2-yl]methyl]piperidine?
The IUPAC name of 1-[[4-chloro-5-(4-chlorophenyl)-1H-pyrrol-2-yl]methyl]piperidine (CID 86052846) is 1-[[4-chloro-5-(4-chlorophenyl)-1H-pyrrol-2-yl]methyl]piperidine.
What is the SMILES notation for 1-[[4-chloro-5-(4-chlorophenyl)-1H-pyrrol-2-yl]methyl]piperidine?
The canonical SMILES for 1-[[4-chloro-5-(4-chlorophenyl)-1H-pyrrol-2-yl]methyl]piperidine is Clc1ccc(-c2[nH]c(CN3CCCCC3)cc2Cl)cc1.
What is the InChIKey of 1-[[4-chloro-5-(4-chlorophenyl)-1H-pyrrol-2-yl]methyl]piperidine?
The InChIKey is HDTNRKIPWUWTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2/c17-13-6-4-12(5-7-13)16-15(18)10-14(19-16)11-20-8-2-1-3-9-20/h4-7,10,19H,1-3,8-9,11H2.
What are the key properties of 1-[[4-chloro-5-(4-chlorophenyl)-1H-pyrrol-2-yl]methyl]piperidine?
1-[[4-chloro-5-(4-chlorophenyl)-1H-pyrrol-2-yl]methyl]piperidine has a molecular weight of 309.24 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-chloro-5-(4-chlorophenyl)-1H-pyrrol-2-yl]methyl]piperidine is sourced from PubChem (CID 86052846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).