N-[(3-ethylpiperidin-3-yl)methyl]-1-(3-fluorophenyl)-N-methylmethanamine

C16H25FN2 — CID 63133198

IUPACN-[(3-ethylpiperidin-3-yl)methyl]-1-(3-fluorophenyl)-N-methylmethanamine
SMILESCCC1(CN(C)Cc2cccc(F)c2)CCCNC1
InChIInChI=1S/C16H25FN2/c1-3-16(8-5-9-18-12-16)13-19(2)11-14-6-4-7-15(17)10-14/h4,6-7,10,18H,3,5,8-9,11-13H2,1-2H3
InChIKeyWSYSJQJJTDEZAC-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.04
Rot. Bonds5

About N-[(3-ethylpiperidin-3-yl)methyl]-1-(3-fluorophenyl)-N-methylmethanamine

N-[(3-ethylpiperidin-3-yl)methyl]-1-(3-fluorophenyl)-N-methylmethanamine (PubChem CID 63133198) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[(3-ethylpiperidin-3-yl)methyl]-1-(3-fluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound NameN-[(3-ethylpiperidin-3-yl)methyl]-1-(3-fluorophenyl)-N-methylmethanamine
PubChem CID63133198
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC NameN-[(3-ethylpiperidin-3-yl)methyl]-1-(3-fluorophenyl)-N-methylmethanamine
SMILESCCC1(CN(C)Cc2cccc(F)c2)CCCNC1
InChIInChI=1S/C16H25FN2/c1-3-16(8-5-9-18-12-16)13-19(2)11-14-6-4-7-15(17)10-14/h4,6-7,10,18H,3,5,8-9,11-13H2,1-2H3
InChIKeyWSYSJQJJTDEZAC-UHFFFAOYSA-N
XLogP3.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-ethylpiperidin-3-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine
CID 63133387
N-[(3-ethylpyrrolidin-3-yl)methyl]-N-methyl-1-(3-methylphenyl)methanamine
CID 63143130
N-[(3-ethylpiperidin-3-yl)methyl]-N-methyl-1-thiophen-3-ylmethanamine
CID 55167019
1-[[(3-fluorophenyl)methyl-methylamino]methyl]cyclopentane-1-carbaldehyde
CID 55050971
3-ethyl-N-[(3-fluorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide
CID 55164556
1-(4-bromophenyl)-N-methyl-N-[(3-propylpiperidin-3-yl)methyl]methanamine
CID 63534076
N-[(3-ethylpiperidin-3-yl)methyl]-2,2,2-trifluoro-N-methylethanamine
CID 63132920
[3-[[(3-fluorophenyl)methyl-methylamino]methyl]oxolan-3-yl]methanol
CID 62271267
1-(4-methoxyphenyl)-N-methyl-N-[(3-propylpiperidin-3-yl)methyl]methanamine
CID 63132884
N-[[1-(bromomethyl)cyclopentyl]methyl]-1-(3-bromophenyl)-N-methylmethanamine
CID 65002738
1-(3-chlorophenyl)-N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methylmethanamine
CID 83073589
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(3-fluorophenyl)-N-methylethanamine
CID 115245973

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylpiperidin-3-yl)methyl]-1-(3-fluorophenyl)-N-methylmethanamine?
The IUPAC name of N-[(3-ethylpiperidin-3-yl)methyl]-1-(3-fluorophenyl)-N-methylmethanamine (CID 63133198) is N-[(3-ethylpiperidin-3-yl)methyl]-1-(3-fluorophenyl)-N-methylmethanamine.
What is the SMILES notation for N-[(3-ethylpiperidin-3-yl)methyl]-1-(3-fluorophenyl)-N-methylmethanamine?
The canonical SMILES for N-[(3-ethylpiperidin-3-yl)methyl]-1-(3-fluorophenyl)-N-methylmethanamine is CCC1(CN(C)Cc2cccc(F)c2)CCCNC1.
What is the InChIKey of N-[(3-ethylpiperidin-3-yl)methyl]-1-(3-fluorophenyl)-N-methylmethanamine?
The InChIKey is WSYSJQJJTDEZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-3-16(8-5-9-18-12-16)13-19(2)11-14-6-4-7-15(17)10-14/h4,6-7,10,18H,3,5,8-9,11-13H2,1-2H3.
What are the key properties of N-[(3-ethylpiperidin-3-yl)methyl]-1-(3-fluorophenyl)-N-methylmethanamine?
N-[(3-ethylpiperidin-3-yl)methyl]-1-(3-fluorophenyl)-N-methylmethanamine has a molecular weight of 264.39 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylpiperidin-3-yl)methyl]-1-(3-fluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 63133198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).