N-ethyl-1-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine

C16H25FN2 — CID 106622443

IUPACN-ethyl-1-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine
SMILESCCN(CC1CCCCN1)C(C)c1cccc(F)c1
InChIInChI=1S/C16H25FN2/c1-3-19(12-16-9-4-5-10-18-16)13(2)14-7-6-8-15(17)11-14/h6-8,11,13,16,18H,3-5,9-10,12H2,1-2H3
InChIKeyXEFHYEKMSVWPDK-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.35
Rot. Bonds5

About N-ethyl-1-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine

N-ethyl-1-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine (PubChem CID 106622443) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is N-ethyl-1-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine
PubChem CID106622443
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC NameN-ethyl-1-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine
SMILESCCN(CC1CCCCN1)C(C)c1cccc(F)c1
InChIInChI=1S/C16H25FN2/c1-3-19(12-16-9-4-5-10-18-16)13(2)14-7-6-8-15(17)11-14/h6-8,11,13,16,18H,3-5,9-10,12H2,1-2H3
InChIKeyXEFHYEKMSVWPDK-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3,5-difluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106623383
1-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propylpropan-2-amine
CID 106623292
4-[1-[ethyl(piperidin-2-ylmethyl)amino]ethyl]benzonitrile
CID 106622496
N-ethyl-N-(piperidin-2-ylmethyl)-1-(4-propylphenyl)ethanamine
CID 106622495
1-(4-bromo-2-fluorophenyl)-N-ethyl-N-(piperidin-2-ylmethyl)ethanamine
CID 106622422
1-(3-fluorophenyl)-N,N-dimethyl-2-piperidin-2-ylethanamine
CID 116906804
N-ethyl-1-(2-fluorophenyl)-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106622603
1-(3-chlorophenyl)-N-ethyl-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106622440
N,N-bis[(3-fluorophenyl)methyl]-1-[(2R)-piperidin-2-yl]methanamine
CID 95731958
2-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propan-2-ylacetamide
CID 106626682
N-[1-(3-methoxyphenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106604112
(1S)-1-(3-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106638924

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine?
The IUPAC name of N-ethyl-1-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine (CID 106622443) is N-ethyl-1-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine.
What is the SMILES notation for N-ethyl-1-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine?
The canonical SMILES for N-ethyl-1-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine is CCN(CC1CCCCN1)C(C)c1cccc(F)c1.
What is the InChIKey of N-ethyl-1-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine?
The InChIKey is XEFHYEKMSVWPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-3-19(12-16-9-4-5-10-18-16)13(2)14-7-6-8-15(17)11-14/h6-8,11,13,16,18H,3-5,9-10,12H2,1-2H3.
What are the key properties of N-ethyl-1-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine?
N-ethyl-1-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine has a molecular weight of 264.39 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine is sourced from PubChem (CID 106622443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).