N-ethyl-1-(4-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-amine

C18H29FN2 — CID 79052048

IUPACN-ethyl-1-(4-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-amine
SMILESCCNC(Cc1ccc(F)cc1)C(C)(C)N1CCCCC1
InChIInChI=1S/C18H29FN2/c1-4-20-17(14-15-8-10-16(19)11-9-15)18(2,3)21-12-6-5-7-13-21/h8-11,17,20H,4-7,12-14H2,1-3H3
InChIKeyRSSZLDJGZXVRED-UHFFFAOYSA-N
MW292.44 g/mol
LogP3.61
Rot. Bonds6

About N-ethyl-1-(4-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-amine

N-ethyl-1-(4-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-amine (PubChem CID 79052048) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is N-ethyl-1-(4-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-amine
PubChem CID79052048
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC NameN-ethyl-1-(4-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-amine
SMILESCCNC(Cc1ccc(F)cc1)C(C)(C)N1CCCCC1
InChIInChI=1S/C18H29FN2/c1-4-20-17(14-15-8-10-16(19)11-9-15)18(2,3)21-12-6-5-7-13-21/h8-11,17,20H,4-7,12-14H2,1-3H3
InChIKeyRSSZLDJGZXVRED-UHFFFAOYSA-N
XLogP3.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-N-ethyl-3-methyl-3-piperidin-1-ylbutan-2-amine
CID 79052033
3-methyl-1-(4-methylphenyl)-N-propyl-3-pyrrolidin-1-ylbutan-2-amine
CID 79051407
N-ethyl-3-methyl-1-pyridin-3-yl-3-pyrrolidin-1-ylbutan-2-amine
CID 104736482
[3-(azepan-1-yl)-1-(4-iodophenyl)-3-methylbutan-2-yl]hydrazine
CID 105240327
1-(2,6-dichlorophenyl)-N-ethyl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine
CID 79051283
3-methyl-1-phenyl-N-propyl-3-pyrrolidin-1-ylbutan-2-amine
CID 79045291
1-(4-bromo-2-fluorophenyl)-N-ethyl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine
CID 79051277
1-(5-bromo-2-fluorophenyl)-N-ethyl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine
CID 79051250
N-ethyl-1-(3-fluorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine
CID 79052240
2-N-ethyl-1-(4-fluorophenyl)-3-N,3-N,3-trimethylbutane-2,3-diamine
CID 79053308
[1-(3-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine
CID 105239805
3-(azepan-1-yl)-1-ethoxy-N-ethyl-3-methylbutan-2-amine
CID 79574923

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-amine?
The IUPAC name of N-ethyl-1-(4-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-amine (CID 79052048) is N-ethyl-1-(4-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-amine.
What is the SMILES notation for N-ethyl-1-(4-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-amine?
The canonical SMILES for N-ethyl-1-(4-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-amine is CCNC(Cc1ccc(F)cc1)C(C)(C)N1CCCCC1.
What is the InChIKey of N-ethyl-1-(4-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-amine?
The InChIKey is RSSZLDJGZXVRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-4-20-17(14-15-8-10-16(19)11-9-15)18(2,3)21-12-6-5-7-13-21/h8-11,17,20H,4-7,12-14H2,1-3H3.
What are the key properties of N-ethyl-1-(4-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-amine?
N-ethyl-1-(4-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-amine has a molecular weight of 292.44 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-amine is sourced from PubChem (CID 79052048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).