4-methyl-1-(4-pyrrol-1-ylphenyl)piperidine

C16H20N2 — CID 91674771

IUPAC4-methyl-1-(4-pyrrol-1-ylphenyl)piperidine
SMILESCC1CCN(c2ccc(-n3cccc3)cc2)CC1
InChIInChI=1S/C16H20N2/c1-14-8-12-18(13-9-14)16-6-4-15(5-7-16)17-10-2-3-11-17/h2-7,10-11,14H,8-9,12-13H2,1H3
InChIKeyRQHKQHLSXVASPQ-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.71
Rot. Bonds2

About 4-methyl-1-(4-pyrrol-1-ylphenyl)piperidine

4-methyl-1-(4-pyrrol-1-ylphenyl)piperidine (PubChem CID 91674771) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 4-methyl-1-(4-pyrrol-1-ylphenyl)piperidine.

Molecular Properties

Compound Name4-methyl-1-(4-pyrrol-1-ylphenyl)piperidine
PubChem CID91674771
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name4-methyl-1-(4-pyrrol-1-ylphenyl)piperidine
SMILESCC1CCN(c2ccc(-n3cccc3)cc2)CC1
InChIInChI=1S/C16H20N2/c1-14-8-12-18(13-9-14)16-6-4-15(5-7-16)17-10-2-3-11-17/h2-7,10-11,14H,8-9,12-13H2,1H3
InChIKeyRQHKQHLSXVASPQ-UHFFFAOYSA-N
XLogP3.71
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 4-methyl-1-(4-pyrrol-1-ylphenyl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;4-methyl-1-phenylpiperidine
CID 143180672
2-[4-(4-methylpiperidin-1-yl)phenyl]isoindole-1,3-dione
CID 168518107
4-(4-methylpiperidin-1-yl)benzonitrile
CID 3152080
4-(4-methylpiperidin-1-yl)benzoate
CID 7023615
N-methyl-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanamine
CID 43283904
[4-(4-methylpiperidin-1-yl)phenyl]methylidenehydrazine
CID 168530817
1-[4-(4-methylpiperidin-1-yl)phenyl]propan-2-amine
CID 63786073
N-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 43280257
[4-(4-methylazepan-1-yl)phenyl]methanol
CID 63622804
1-chloro-N-[4-(4-methylpiperidin-1-yl)phenyl]methanesulfonamide
CID 63665951
2-(methylamino)-1-[4-(4-methylpiperidin-1-yl)phenyl]propan-1-one
CID 83971788
1-[4-(4-pyrrol-1-ylphenyl)piperazin-1-yl]propan-1-one
CID 91674743

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(4-pyrrol-1-ylphenyl)piperidine?
The IUPAC name of 4-methyl-1-(4-pyrrol-1-ylphenyl)piperidine (CID 91674771) is 4-methyl-1-(4-pyrrol-1-ylphenyl)piperidine.
What is the SMILES notation for 4-methyl-1-(4-pyrrol-1-ylphenyl)piperidine?
The canonical SMILES for 4-methyl-1-(4-pyrrol-1-ylphenyl)piperidine is CC1CCN(c2ccc(-n3cccc3)cc2)CC1.
What is the InChIKey of 4-methyl-1-(4-pyrrol-1-ylphenyl)piperidine?
The InChIKey is RQHKQHLSXVASPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-14-8-12-18(13-9-14)16-6-4-15(5-7-16)17-10-2-3-11-17/h2-7,10-11,14H,8-9,12-13H2,1H3.
What are the key properties of 4-methyl-1-(4-pyrrol-1-ylphenyl)piperidine?
4-methyl-1-(4-pyrrol-1-ylphenyl)piperidine has a molecular weight of 240.35 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(4-pyrrol-1-ylphenyl)piperidine is sourced from PubChem (CID 91674771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).