Fenpropidin

C19H31N — CID 91694

IUPAC1-[3-(4-tert-butylphenyl)-2-methylpropyl]piperidine
SMILESCC(CC1=CC=C(C=C1)C(C)(C)C)CN2CCCCC2
InChIInChI=1S/C19H31N/c1-16(15-20-12-6-5-7-13-20)14-17-8-10-18(11-9-17)19(2,3)4/h8-11,16H,5-7,12-15H2,1-4H3
InChIKeyMGNFYQILYYYUBS-UHFFFAOYSA-N
MW273.50 g/mol
LogP5.50
Rot. Bonds5

About Fenpropidin

Fenpropidin (PubChem CID 91694) has the molecular formula C19H31N and a molecular weight of 273.50 g/mol. Its IUPAC name is 1-[3-(4-tert-butylphenyl)-2-methylpropyl]piperidine.

Molecular Properties

Compound NameFenpropidin
PubChem CID91694
Molecular FormulaC19H31N
Molecular Weight273.50 g/mol
Exact Mass273.25
IUPAC Name1-[3-(4-tert-butylphenyl)-2-methylpropyl]piperidine
SMILESCC(CC1=CC=C(C=C1)C(C)(C)C)CN2CCCCC2
InChIInChI=1S/C19H31N/c1-16(15-20-12-6-5-7-13-20)14-17-8-10-18(11-9-17)19(2,3)4/h8-11,16H,5-7,12-15H2,1-4H3
InChIKeyMGNFYQILYYYUBS-UHFFFAOYSA-N
XLogP5.50
TPSA3.20 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity264

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.50
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Fenpropimorph
CID 93365
Cyproheptadine
CID 2913
Budipine
CID 68778
Amorolfine
CID 54260
Cyproheptadine Hydrochloride
CID 13770
Alverine
CID 3678
Fenpiprane
CID 197785
Piperidine, 1-(2-phenylethyl)-
CID 9513
4-(3-(4-(1,1-Dimethylethyl)phenyl)-2-methylpropyl)-2,6-dimethylmorpholine
CID 91695
1-Methyl-4-phenylpiperidine-4-carbonitrile
CID 62513
Diphemanil
CID 6127
Diisopromine
CID 22262

Frequently Asked Questions

What is the IUPAC name of Fenpropidin?
The IUPAC name of Fenpropidin (CID 91694) is 1-[3-(4-tert-butylphenyl)-2-methylpropyl]piperidine.
What is the SMILES notation for Fenpropidin?
The canonical SMILES for Fenpropidin is CC(CC1=CC=C(C=C1)C(C)(C)C)CN2CCCCC2.
What is the InChIKey of Fenpropidin?
The InChIKey is MGNFYQILYYYUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-16(15-20-12-6-5-7-13-20)14-17-8-10-18(11-9-17)19(2,3)4/h8-11,16H,5-7,12-15H2,1-4H3.
What are the key properties of Fenpropidin?
Fenpropidin has a molecular weight of 273.50 g/mol, XLogP of 5.50, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Fenpropidin is sourced from PubChem (CID 91694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).