N-[1-(2-fluorophenyl)ethyl]-1-(1-propylpiperidin-3-yl)ethanamine

C18H29FN2 — CID 60928302

IUPACN-[1-(2-fluorophenyl)ethyl]-1-(1-propylpiperidin-3-yl)ethanamine
SMILESCCCN1CCCC(C(C)NC(C)c2ccccc2F)C1
InChIInChI=1S/C18H29FN2/c1-4-11-21-12-7-8-16(13-21)14(2)20-15(3)17-9-5-6-10-18(17)19/h5-6,9-10,14-16,20H,4,7-8,11-13H2,1-3H3
InChIKeyRZPSPEFVKXKZGJ-UHFFFAOYSA-N
MW292.44 g/mol
LogP3.99
Rot. Bonds6

About N-[1-(2-fluorophenyl)ethyl]-1-(1-propylpiperidin-3-yl)ethanamine

N-[1-(2-fluorophenyl)ethyl]-1-(1-propylpiperidin-3-yl)ethanamine (PubChem CID 60928302) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)ethyl]-1-(1-propylpiperidin-3-yl)ethanamine.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)ethyl]-1-(1-propylpiperidin-3-yl)ethanamine
PubChem CID60928302
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC NameN-[1-(2-fluorophenyl)ethyl]-1-(1-propylpiperidin-3-yl)ethanamine
SMILESCCCN1CCCC(C(C)NC(C)c2ccccc2F)C1
InChIInChI=1S/C18H29FN2/c1-4-11-21-12-7-8-16(13-21)14(2)20-15(3)17-9-5-6-10-18(17)19/h5-6,9-10,14-16,20H,4,7-8,11-13H2,1-3H3
InChIKeyRZPSPEFVKXKZGJ-UHFFFAOYSA-N
XLogP3.99
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 ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(2-chlorophenyl)ethyl]-1-(1-propylpiperidin-3-yl)ethanamine
CID 81375624
N-[(1R)-1-(2-fluorophenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 81380093
1-phenyl-N-[1-(1-propylpiperidin-3-yl)ethyl]propan-2-amine
CID 63011582
N-[(1S)-1-(3-bromophenyl)ethyl]-1-(1-propylpiperidin-3-yl)ethanamine
CID 81381973
3-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]butan-2-amine
CID 43308725
1-(1-ethylpiperidin-3-yl)-N-[(1R)-1-phenylethyl]ethanamine
CID 81351660
6-fluoro-N-[1-(1-propylpiperidin-3-yl)ethyl]pyridin-2-amine
CID 116812757
N-[1-(2-methylphenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 43308252
1-(1-ethylpiperidin-3-yl)-N-[1-(3-fluorophenyl)ethyl]ethanamine
CID 43308467
2,3-dimethyl-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
CID 43308056
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(1-propylpiperidin-3-yl)ethanamine
CID 106387838
1-(furan-2-yl)-N-[1-(1-propylpiperidin-3-yl)ethyl]propan-2-amine
CID 43692967

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)ethyl]-1-(1-propylpiperidin-3-yl)ethanamine?
The IUPAC name of N-[1-(2-fluorophenyl)ethyl]-1-(1-propylpiperidin-3-yl)ethanamine (CID 60928302) is N-[1-(2-fluorophenyl)ethyl]-1-(1-propylpiperidin-3-yl)ethanamine.
What is the SMILES notation for N-[1-(2-fluorophenyl)ethyl]-1-(1-propylpiperidin-3-yl)ethanamine?
The canonical SMILES for N-[1-(2-fluorophenyl)ethyl]-1-(1-propylpiperidin-3-yl)ethanamine is CCCN1CCCC(C(C)NC(C)c2ccccc2F)C1.
What is the InChIKey of N-[1-(2-fluorophenyl)ethyl]-1-(1-propylpiperidin-3-yl)ethanamine?
The InChIKey is RZPSPEFVKXKZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-4-11-21-12-7-8-16(13-21)14(2)20-15(3)17-9-5-6-10-18(17)19/h5-6,9-10,14-16,20H,4,7-8,11-13H2,1-3H3.
What are the key properties of N-[1-(2-fluorophenyl)ethyl]-1-(1-propylpiperidin-3-yl)ethanamine?
N-[1-(2-fluorophenyl)ethyl]-1-(1-propylpiperidin-3-yl)ethanamine has a molecular weight of 292.44 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)ethyl]-1-(1-propylpiperidin-3-yl)ethanamine is sourced from PubChem (CID 60928302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).