1-[2-(4,4-diethylpiperidin-1-yl)-5-fluorophenyl]-N-methylethanamine

C18H29FN2 — CID 63534160

IUPAC1-[2-(4,4-diethylpiperidin-1-yl)-5-fluorophenyl]-N-methylethanamine
SMILESCCC1(CC)CCN(c2ccc(F)cc2C(C)NC)CC1
InChIInChI=1S/C18H29FN2/c1-5-18(6-2)9-11-21(12-10-18)17-8-7-15(19)13-16(17)14(3)20-4/h7-8,13-14,20H,5-6,9-12H2,1-4H3
InChIKeyLRWPMQGDJJXHAE-UHFFFAOYSA-N
MW292.44 g/mol
LogP4.51
Rot. Bonds5

About 1-[2-(4,4-diethylpiperidin-1-yl)-5-fluorophenyl]-N-methylethanamine

1-[2-(4,4-diethylpiperidin-1-yl)-5-fluorophenyl]-N-methylethanamine (PubChem CID 63534160) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is 1-[2-(4,4-diethylpiperidin-1-yl)-5-fluorophenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(4,4-diethylpiperidin-1-yl)-5-fluorophenyl]-N-methylethanamine
PubChem CID63534160
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC Name1-[2-(4,4-diethylpiperidin-1-yl)-5-fluorophenyl]-N-methylethanamine
SMILESCCC1(CC)CCN(c2ccc(F)cc2C(C)NC)CC1
InChIInChI=1S/C18H29FN2/c1-5-18(6-2)9-11-21(12-10-18)17-8-7-15(19)13-16(17)14(3)20-4/h7-8,13-14,20H,5-6,9-12H2,1-4H3
InChIKeyLRWPMQGDJJXHAE-UHFFFAOYSA-N
XLogP4.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4,4-diethylpiperidin-1-yl)phenyl]-N-methylethanamine
CID 63158539
1-[2-(4,4-diethylpiperidin-1-yl)-5-fluorophenyl]-N-methylmethanamine
CID 63158482
N-ethyl-1-(5-fluoro-2-pyrrolidin-1-ylphenyl)ethanamine
CID 43283921
1-[2-(3,4-dimethylpyrrolidin-1-yl)-5-fluorophenyl]-N-methylethanamine
CID 79188631
5-(4,4-diethylpiperidin-1-yl)-2-[1-(methylamino)ethyl]phenol
CID 79591200
1-[4-fluoro-2-[1-(methylamino)ethyl]phenyl]-1,4-diazepan-5-one
CID 63002709
1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluorophenyl]-N-ethylethanamine
CID 43581580
1-[5-fluoro-2-(3-methoxypiperidin-1-yl)phenyl]-N-methylethanamine
CID 102959097
1-[2-(4,4-diethylpiperidin-1-yl)phenyl]-N-methylpropan-1-amine
CID 115995201
1-[2-(4,4-dimethylpiperidin-1-yl)phenyl]-N-methylethanamine
CID 62936574
4,4-diethyl-1-(2-fluoro-4-methylphenyl)piperidine
CID 169105579
1-[4-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]-4-methylpiperidin-4-ol
CID 81097570

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,4-diethylpiperidin-1-yl)-5-fluorophenyl]-N-methylethanamine?
The IUPAC name of 1-[2-(4,4-diethylpiperidin-1-yl)-5-fluorophenyl]-N-methylethanamine (CID 63534160) is 1-[2-(4,4-diethylpiperidin-1-yl)-5-fluorophenyl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(4,4-diethylpiperidin-1-yl)-5-fluorophenyl]-N-methylethanamine?
The canonical SMILES for 1-[2-(4,4-diethylpiperidin-1-yl)-5-fluorophenyl]-N-methylethanamine is CCC1(CC)CCN(c2ccc(F)cc2C(C)NC)CC1.
What is the InChIKey of 1-[2-(4,4-diethylpiperidin-1-yl)-5-fluorophenyl]-N-methylethanamine?
The InChIKey is LRWPMQGDJJXHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-5-18(6-2)9-11-21(12-10-18)17-8-7-15(19)13-16(17)14(3)20-4/h7-8,13-14,20H,5-6,9-12H2,1-4H3.
What are the key properties of 1-[2-(4,4-diethylpiperidin-1-yl)-5-fluorophenyl]-N-methylethanamine?
1-[2-(4,4-diethylpiperidin-1-yl)-5-fluorophenyl]-N-methylethanamine has a molecular weight of 292.44 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,4-diethylpiperidin-1-yl)-5-fluorophenyl]-N-methylethanamine is sourced from PubChem (CID 63534160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).