1-[1-[(3-fluorophenyl)methyl]piperidin-2-yl]ethanamine

C14H21FN2 — CID 63254271

IUPAC1-[1-[(3-fluorophenyl)methyl]piperidin-2-yl]ethanamine
SMILESCC(N)C1CCCCN1Cc1cccc(F)c1
InChIInChI=1S/C14H21FN2/c1-11(16)14-7-2-3-8-17(14)10-12-5-4-6-13(15)9-12/h4-6,9,11,14H,2-3,7-8,10,16H2,1H3
InChIKeyLEPLGVAEZOUAEM-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.53
Rot. Bonds3

About 1-[1-[(3-fluorophenyl)methyl]piperidin-2-yl]ethanamine

1-[1-[(3-fluorophenyl)methyl]piperidin-2-yl]ethanamine (PubChem CID 63254271) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 1-[1-[(3-fluorophenyl)methyl]piperidin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(3-fluorophenyl)methyl]piperidin-2-yl]ethanamine
PubChem CID63254271
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name1-[1-[(3-fluorophenyl)methyl]piperidin-2-yl]ethanamine
SMILESCC(N)C1CCCCN1Cc1cccc(F)c1
InChIInChI=1S/C14H21FN2/c1-11(16)14-7-2-3-8-17(14)10-12-5-4-6-13(15)9-12/h4-6,9,11,14H,2-3,7-8,10,16H2,1H3
InChIKeyLEPLGVAEZOUAEM-UHFFFAOYSA-N
XLogP2.53
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[2-(1-aminoethyl)piperidin-1-yl]methyl]benzonitrile
CID 63254536
3-[[2-(1-aminoethyl)piperidin-1-yl]methyl]benzamide;hydrochloride
CID 119911778
1-[1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-2-yl]ethanamine
CID 55168778
1-[1-[(3-fluoro-5-nitrophenyl)methyl]piperidin-2-yl]ethanamine
CID 115980968
1-[1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]ethanamine
CID 55168005
4-[[2-(1-aminoethyl)piperidin-1-yl]methyl]phenol
CID 63254190
1-[(3-fluorophenyl)methyl]-2-(methoxymethyl)piperidine
CID 136545800
1-[2-(1-aminoethyl)piperidin-1-yl]-4-(3-fluorophenyl)-2-methylbutan-1-one
CID 119434778
1-[1-[(3-chloro-4-methoxyphenyl)methyl]piperidin-2-yl]ethanamine
CID 65027028
1-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]ethanamine
CID 63254456
1-[1-[(5-bromo-2-fluorophenyl)methyl]piperidin-2-yl]ethanamine
CID 55170113
ethyl (2R)-1-[(3-fluorophenyl)methyl]piperidine-2-carboxylate
CID 765373

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-fluorophenyl)methyl]piperidin-2-yl]ethanamine?
The IUPAC name of 1-[1-[(3-fluorophenyl)methyl]piperidin-2-yl]ethanamine (CID 63254271) is 1-[1-[(3-fluorophenyl)methyl]piperidin-2-yl]ethanamine.
What is the SMILES notation for 1-[1-[(3-fluorophenyl)methyl]piperidin-2-yl]ethanamine?
The canonical SMILES for 1-[1-[(3-fluorophenyl)methyl]piperidin-2-yl]ethanamine is CC(N)C1CCCCN1Cc1cccc(F)c1.
What is the InChIKey of 1-[1-[(3-fluorophenyl)methyl]piperidin-2-yl]ethanamine?
The InChIKey is LEPLGVAEZOUAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-11(16)14-7-2-3-8-17(14)10-12-5-4-6-13(15)9-12/h4-6,9,11,14H,2-3,7-8,10,16H2,1H3.
What are the key properties of 1-[1-[(3-fluorophenyl)methyl]piperidin-2-yl]ethanamine?
1-[1-[(3-fluorophenyl)methyl]piperidin-2-yl]ethanamine has a molecular weight of 236.33 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-fluorophenyl)methyl]piperidin-2-yl]ethanamine is sourced from PubChem (CID 63254271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).