1-ethyl-5-(3-fluorophenyl)-N-(2-methylpropyl)piperidin-3-amine

C17H27FN2 — CID 83994200

IUPAC1-ethyl-5-(3-fluorophenyl)-N-(2-methylpropyl)piperidin-3-amine
SMILESCCN1CC(NCC(C)C)CC(c2cccc(F)c2)C1
InChIInChI=1S/C17H27FN2/c1-4-20-11-15(14-6-5-7-16(18)8-14)9-17(12-20)19-10-13(2)3/h5-8,13,15,17,19H,4,9-12H2,1-3H3
InChIKeyHVMFEBCLLJIDPS-UHFFFAOYSA-N
MW278.41 g/mol
LogP3.25
Rot. Bonds5

About 1-ethyl-5-(3-fluorophenyl)-N-(2-methylpropyl)piperidin-3-amine

1-ethyl-5-(3-fluorophenyl)-N-(2-methylpropyl)piperidin-3-amine (PubChem CID 83994200) has the molecular formula C17H27FN2 and a molecular weight of 278.41 g/mol. Its IUPAC name is 1-ethyl-5-(3-fluorophenyl)-N-(2-methylpropyl)piperidin-3-amine.

Molecular Properties

Compound Name1-ethyl-5-(3-fluorophenyl)-N-(2-methylpropyl)piperidin-3-amine
PubChem CID83994200
Molecular FormulaC17H27FN2
Molecular Weight278.41 g/mol
Exact Mass278.22
IUPAC Name1-ethyl-5-(3-fluorophenyl)-N-(2-methylpropyl)piperidin-3-amine
SMILESCCN1CC(NCC(C)C)CC(c2cccc(F)c2)C1
InChIInChI=1S/C17H27FN2/c1-4-20-11-15(14-6-5-7-16(18)8-14)9-17(12-20)19-10-13(2)3/h5-8,13,15,17,19H,4,9-12H2,1-3H3
InChIKeyHVMFEBCLLJIDPS-UHFFFAOYSA-N
XLogP3.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.41
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-ethyl-5-(3-fluorophenyl)piperidin-3-yl]-2-methylpropanamide
CID 112542582
N,1-diethyl-5-(3-methylphenyl)piperidin-3-amine
CID 83990215
3-(3-fluorophenyl)-N-(2-piperidin-1-ylpropyl)cyclobutan-1-amine
CID 61018189
5-(3-methoxyphenyl)-1-methyl-N-(2-methylpropyl)piperidin-3-amine
CID 83994161
5-(3-fluorophenyl)-N,1-dimethylpiperidin-3-amine
CID 83989552
3-(3-fluorophenyl)-N-(2-methylpentan-3-yl)cyclobutan-1-amine
CID 54954901
N-(cyclobutylmethyl)-5-(3-fluorophenyl)-1-methylpiperidin-3-amine
CID 83996930
3-(3-methylphenyl)-N-(2-methylpropyl)cyclobutan-1-amine
CID 43632690
3-(3-fluorophenyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclobutan-1-amine
CID 61471822
3-(3-fluorophenyl)-N-prop-2-ynylcyclobutan-1-amine
CID 43632505
N-[(4-ethylcyclohexyl)methyl]-3-(3-fluorophenyl)cyclobutan-1-amine
CID 63451775
N-cyclohexyl-1-ethyl-5-(3-methylphenyl)piperidin-3-amine
CID 83999044

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(3-fluorophenyl)-N-(2-methylpropyl)piperidin-3-amine?
The IUPAC name of 1-ethyl-5-(3-fluorophenyl)-N-(2-methylpropyl)piperidin-3-amine (CID 83994200) is 1-ethyl-5-(3-fluorophenyl)-N-(2-methylpropyl)piperidin-3-amine.
What is the SMILES notation for 1-ethyl-5-(3-fluorophenyl)-N-(2-methylpropyl)piperidin-3-amine?
The canonical SMILES for 1-ethyl-5-(3-fluorophenyl)-N-(2-methylpropyl)piperidin-3-amine is CCN1CC(NCC(C)C)CC(c2cccc(F)c2)C1.
What is the InChIKey of 1-ethyl-5-(3-fluorophenyl)-N-(2-methylpropyl)piperidin-3-amine?
The InChIKey is HVMFEBCLLJIDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-4-20-11-15(14-6-5-7-16(18)8-14)9-17(12-20)19-10-13(2)3/h5-8,13,15,17,19H,4,9-12H2,1-3H3.
What are the key properties of 1-ethyl-5-(3-fluorophenyl)-N-(2-methylpropyl)piperidin-3-amine?
1-ethyl-5-(3-fluorophenyl)-N-(2-methylpropyl)piperidin-3-amine has a molecular weight of 278.41 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(3-fluorophenyl)-N-(2-methylpropyl)piperidin-3-amine is sourced from PubChem (CID 83994200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).