1-[1-(3-chlorophenyl)-5-methylpyrrol-3-yl]piperidine

C16H19ClN2 — CID 70283217

IUPAC1-[1-(3-chlorophenyl)-5-methylpyrrol-3-yl]piperidine
SMILESCc1cc(N2CCCCC2)cn1-c1cccc(Cl)c1
InChIInChI=1S/C16H19ClN2/c1-13-10-16(18-8-3-2-4-9-18)12-19(13)15-7-5-6-14(17)11-15/h5-7,10-12H,2-4,8-9H2,1H3
InChIKeyWRAOYFCXYVAXDG-UHFFFAOYSA-N
MW274.80 g/mol
LogP4.43
Rot. Bonds2

About 1-[1-(3-chlorophenyl)-5-methylpyrrol-3-yl]piperidine

1-[1-(3-chlorophenyl)-5-methylpyrrol-3-yl]piperidine (PubChem CID 70283217) has the molecular formula C16H19ClN2 and a molecular weight of 274.80 g/mol. Its IUPAC name is 1-[1-(3-chlorophenyl)-5-methylpyrrol-3-yl]piperidine.

Molecular Properties

Compound Name1-[1-(3-chlorophenyl)-5-methylpyrrol-3-yl]piperidine
PubChem CID70283217
Molecular FormulaC16H19ClN2
Molecular Weight274.80 g/mol
Exact Mass274.12
IUPAC Name1-[1-(3-chlorophenyl)-5-methylpyrrol-3-yl]piperidine
SMILESCc1cc(N2CCCCC2)cn1-c1cccc(Cl)c1
InChIInChI=1S/C16H19ClN2/c1-13-10-16(18-8-3-2-4-9-18)12-19(13)15-7-5-6-14(17)11-15/h5-7,10-12H,2-4,8-9H2,1H3
InChIKeyWRAOYFCXYVAXDG-UHFFFAOYSA-N
XLogP4.43
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chlorophenyl)-5-methylpyrrol-3-yl]piperidine?
The IUPAC name of 1-[1-(3-chlorophenyl)-5-methylpyrrol-3-yl]piperidine (CID 70283217) is 1-[1-(3-chlorophenyl)-5-methylpyrrol-3-yl]piperidine.
What is the SMILES notation for 1-[1-(3-chlorophenyl)-5-methylpyrrol-3-yl]piperidine?
The canonical SMILES for 1-[1-(3-chlorophenyl)-5-methylpyrrol-3-yl]piperidine is Cc1cc(N2CCCCC2)cn1-c1cccc(Cl)c1.
What is the InChIKey of 1-[1-(3-chlorophenyl)-5-methylpyrrol-3-yl]piperidine?
The InChIKey is WRAOYFCXYVAXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-13-10-16(18-8-3-2-4-9-18)12-19(13)15-7-5-6-14(17)11-15/h5-7,10-12H,2-4,8-9H2,1H3.
What are the key properties of 1-[1-(3-chlorophenyl)-5-methylpyrrol-3-yl]piperidine?
1-[1-(3-chlorophenyl)-5-methylpyrrol-3-yl]piperidine has a molecular weight of 274.80 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chlorophenyl)-5-methylpyrrol-3-yl]piperidine is sourced from PubChem (CID 70283217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).