N-(cyclobutylmethyl)-1-ethyl-5-(4-fluorophenyl)piperidin-3-amine

C18H27FN2 — CID 83996965

IUPACN-(cyclobutylmethyl)-1-ethyl-5-(4-fluorophenyl)piperidin-3-amine
SMILESCCN1CC(NCC2CCC2)CC(c2ccc(F)cc2)C1
InChIInChI=1S/C18H27FN2/c1-2-21-12-16(15-6-8-17(19)9-7-15)10-18(13-21)20-11-14-4-3-5-14/h6-9,14,16,18,20H,2-5,10-13H2,1H3
InChIKeyIQFJSWBCCWJAJP-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.39
Rot. Bonds5

About N-(cyclobutylmethyl)-1-ethyl-5-(4-fluorophenyl)piperidin-3-amine

N-(cyclobutylmethyl)-1-ethyl-5-(4-fluorophenyl)piperidin-3-amine (PubChem CID 83996965) has the molecular formula C18H27FN2 and a molecular weight of 290.43 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-1-ethyl-5-(4-fluorophenyl)piperidin-3-amine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-1-ethyl-5-(4-fluorophenyl)piperidin-3-amine
PubChem CID83996965
Molecular FormulaC18H27FN2
Molecular Weight290.43 g/mol
Exact Mass290.22
IUPAC NameN-(cyclobutylmethyl)-1-ethyl-5-(4-fluorophenyl)piperidin-3-amine
SMILESCCN1CC(NCC2CCC2)CC(c2ccc(F)cc2)C1
InChIInChI=1S/C18H27FN2/c1-2-21-12-16(15-6-8-17(19)9-7-15)10-18(13-21)20-11-14-4-3-5-14/h6-9,14,16,18,20H,2-5,10-13H2,1H3
InChIKeyIQFJSWBCCWJAJP-UHFFFAOYSA-N
XLogP3.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-ethylpyrrolidin-3-yl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine
CID 60856023
2-[3-(cyclobutylmethylamino)-5-(4-methylphenyl)piperidin-1-yl]acetonitrile
CID 83997512
N-(cyclobutylmethyl)-1-[(4-fluorophenyl)methyl]-5-methylpiperidin-3-amine
CID 83997039
N-(cyclobutylmethyl)-5-(3-fluorophenyl)-1-methylpiperidin-3-amine
CID 83996930
5-benzyl-N-(cyclobutylmethyl)-1-ethylpiperidin-3-amine
CID 83996943
3-(4-fluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclobutan-1-amine
CID 61206988
1-ethyl-5-(4-methylphenyl)-N-propylpiperidin-3-amine
CID 83990850
N-(cyclohexylmethyl)-3-(4-methylphenyl)cyclobutan-1-amine
CID 43635351
N-(cyclohexylmethyl)-5-[(4-fluorophenyl)methyl]-1-methylpiperidin-3-amine
CID 83998287
N-(cyclohexylmethyl)-5-phenyl-1-propan-2-ylpiperidin-3-amine
CID 83998453
N-(cyclohexylmethyl)-5-(cyclopropylmethyl)-1-ethylpiperidin-3-amine
CID 83998325
N-(cyclohexylmethyl)-1-ethyl-5-propylpiperidin-3-amine
CID 83998322

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-1-ethyl-5-(4-fluorophenyl)piperidin-3-amine?
The IUPAC name of N-(cyclobutylmethyl)-1-ethyl-5-(4-fluorophenyl)piperidin-3-amine (CID 83996965) is N-(cyclobutylmethyl)-1-ethyl-5-(4-fluorophenyl)piperidin-3-amine.
What is the SMILES notation for N-(cyclobutylmethyl)-1-ethyl-5-(4-fluorophenyl)piperidin-3-amine?
The canonical SMILES for N-(cyclobutylmethyl)-1-ethyl-5-(4-fluorophenyl)piperidin-3-amine is CCN1CC(NCC2CCC2)CC(c2ccc(F)cc2)C1.
What is the InChIKey of N-(cyclobutylmethyl)-1-ethyl-5-(4-fluorophenyl)piperidin-3-amine?
The InChIKey is IQFJSWBCCWJAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2/c1-2-21-12-16(15-6-8-17(19)9-7-15)10-18(13-21)20-11-14-4-3-5-14/h6-9,14,16,18,20H,2-5,10-13H2,1H3.
What are the key properties of N-(cyclobutylmethyl)-1-ethyl-5-(4-fluorophenyl)piperidin-3-amine?
N-(cyclobutylmethyl)-1-ethyl-5-(4-fluorophenyl)piperidin-3-amine has a molecular weight of 290.43 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-1-ethyl-5-(4-fluorophenyl)piperidin-3-amine is sourced from PubChem (CID 83996965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).