N-[1-[2-(2,4-dimethylpiperidin-1-yl)-5-fluorophenyl]ethyl]propan-1-amine

C18H29FN2 — CID 63534019

IUPACN-[1-[2-(2,4-dimethylpiperidin-1-yl)-5-fluorophenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cc(F)ccc1N1CCC(C)CC1C
InChIInChI=1S/C18H29FN2/c1-5-9-20-15(4)17-12-16(19)6-7-18(17)21-10-8-13(2)11-14(21)3/h6-7,12-15,20H,5,8-11H2,1-4H3
InChIKeyPYMDIOHGSBOXIA-UHFFFAOYSA-N
MW292.44 g/mol
LogP4.51
Rot. Bonds5

About N-[1-[2-(2,4-dimethylpiperidin-1-yl)-5-fluorophenyl]ethyl]propan-1-amine

N-[1-[2-(2,4-dimethylpiperidin-1-yl)-5-fluorophenyl]ethyl]propan-1-amine (PubChem CID 63534019) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is N-[1-[2-(2,4-dimethylpiperidin-1-yl)-5-fluorophenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-(2,4-dimethylpiperidin-1-yl)-5-fluorophenyl]ethyl]propan-1-amine
PubChem CID63534019
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC NameN-[1-[2-(2,4-dimethylpiperidin-1-yl)-5-fluorophenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cc(F)ccc1N1CCC(C)CC1C
InChIInChI=1S/C18H29FN2/c1-5-9-20-15(4)17-12-16(19)6-7-18(17)21-10-8-13(2)11-14(21)3/h6-7,12-15,20H,5,8-11H2,1-4H3
InChIKeyPYMDIOHGSBOXIA-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

4-[4-fluoro-2-[1-(propylamino)ethyl]phenyl]-3-methylpiperazin-2-one
CID 63594947
1-[2-(2,4-dimethylpiperidin-1-yl)phenyl]-N-propylpropan-1-amine
CID 115995156
N-[[2-(2,4-dimethylpiperidin-1-yl)-5-fluorophenyl]methyl]ethanamine
CID 62332170
N-[1-[5-bromo-2-(2-methylazepan-1-yl)phenyl]ethyl]propan-1-amine
CID 82955061
[2-(2,4-dimethylpiperidin-1-yl)-5-fluorophenyl]methanamine
CID 55062001
N-[1-[5-fluoro-2-(1,4-oxazepan-4-yl)phenyl]ethyl]propan-1-amine
CID 62974863
N-[1-(2,5-difluorophenyl)ethyl]propan-1-amine
CID 24705464
1-[2-(2,4-dimethylpiperidin-1-yl)-6-fluorophenyl]-N-ethylethanamine
CID 62330685
N-[1-[5-bromo-2-(3-methylpyrrolidin-1-yl)phenyl]ethyl]propan-1-amine
CID 82971808
N-[1-(2-cyclopentyloxy-5-fluorophenyl)ethyl]propan-1-amine
CID 43284936
N-[1-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]ethyl]propan-1-amine
CID 62130367
N-ethyl-1-(5-fluoro-2-pyrrolidin-1-ylphenyl)ethanamine
CID 43283921

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2,4-dimethylpiperidin-1-yl)-5-fluorophenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-(2,4-dimethylpiperidin-1-yl)-5-fluorophenyl]ethyl]propan-1-amine (CID 63534019) is N-[1-[2-(2,4-dimethylpiperidin-1-yl)-5-fluorophenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-(2,4-dimethylpiperidin-1-yl)-5-fluorophenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-(2,4-dimethylpiperidin-1-yl)-5-fluorophenyl]ethyl]propan-1-amine is CCCNC(C)c1cc(F)ccc1N1CCC(C)CC1C.
What is the InChIKey of N-[1-[2-(2,4-dimethylpiperidin-1-yl)-5-fluorophenyl]ethyl]propan-1-amine?
The InChIKey is PYMDIOHGSBOXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-5-9-20-15(4)17-12-16(19)6-7-18(17)21-10-8-13(2)11-14(21)3/h6-7,12-15,20H,5,8-11H2,1-4H3.
What are the key properties of N-[1-[2-(2,4-dimethylpiperidin-1-yl)-5-fluorophenyl]ethyl]propan-1-amine?
N-[1-[2-(2,4-dimethylpiperidin-1-yl)-5-fluorophenyl]ethyl]propan-1-amine 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 N-[1-[2-(2,4-dimethylpiperidin-1-yl)-5-fluorophenyl]ethyl]propan-1-amine is sourced from PubChem (CID 63534019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).