4-(2-ethyl-1H-pyrrol-3-yl)-2-phenylpiperidine

C17H22N2 — CID 70283329

IUPAC4-(2-ethyl-1H-pyrrol-3-yl)-2-phenylpiperidine
SMILESCCc1[nH]ccc1C1CCNC(c2ccccc2)C1
InChIInChI=1S/C17H22N2/c1-2-16-15(9-11-18-16)14-8-10-19-17(12-14)13-6-4-3-5-7-13/h3-7,9,11,14,17-19H,2,8,10,12H2,1H3
InChIKeyMXPAIWLWHBSHBZ-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.79
Rot. Bonds3

About 4-(2-ethyl-1H-pyrrol-3-yl)-2-phenylpiperidine

4-(2-ethyl-1H-pyrrol-3-yl)-2-phenylpiperidine (PubChem CID 70283329) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 4-(2-ethyl-1H-pyrrol-3-yl)-2-phenylpiperidine.

Molecular Properties

Compound Name4-(2-ethyl-1H-pyrrol-3-yl)-2-phenylpiperidine
PubChem CID70283329
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name4-(2-ethyl-1H-pyrrol-3-yl)-2-phenylpiperidine
SMILESCCc1[nH]ccc1C1CCNC(c2ccccc2)C1
InChIInChI=1S/C17H22N2/c1-2-16-15(9-11-18-16)14-8-10-19-17(12-14)13-6-4-3-5-7-13/h3-7,9,11,14,17-19H,2,8,10,12H2,1H3
InChIKeyMXPAIWLWHBSHBZ-UHFFFAOYSA-N
XLogP3.79
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethyl-1H-pyrrol-3-yl)-2-phenylpiperidine?
The IUPAC name of 4-(2-ethyl-1H-pyrrol-3-yl)-2-phenylpiperidine (CID 70283329) is 4-(2-ethyl-1H-pyrrol-3-yl)-2-phenylpiperidine.
What is the SMILES notation for 4-(2-ethyl-1H-pyrrol-3-yl)-2-phenylpiperidine?
The canonical SMILES for 4-(2-ethyl-1H-pyrrol-3-yl)-2-phenylpiperidine is CCc1[nH]ccc1C1CCNC(c2ccccc2)C1.
What is the InChIKey of 4-(2-ethyl-1H-pyrrol-3-yl)-2-phenylpiperidine?
The InChIKey is MXPAIWLWHBSHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-2-16-15(9-11-18-16)14-8-10-19-17(12-14)13-6-4-3-5-7-13/h3-7,9,11,14,17-19H,2,8,10,12H2,1H3.
What are the key properties of 4-(2-ethyl-1H-pyrrol-3-yl)-2-phenylpiperidine?
4-(2-ethyl-1H-pyrrol-3-yl)-2-phenylpiperidine has a molecular weight of 254.38 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethyl-1H-pyrrol-3-yl)-2-phenylpiperidine is sourced from PubChem (CID 70283329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).