N-ethyl-1-[(5-fluoro-3-pyridinyl)methyl]piperidin-4-amine

C13H20FN3 — CID 114084046

IUPACN-ethyl-1-[(5-fluoro-3-pyridinyl)methyl]piperidin-4-amine
SMILESCCNC1CCN(Cc2cncc(F)c2)CC1
InChIInChI=1S/C13H20FN3/c1-2-16-13-3-5-17(6-4-13)10-11-7-12(14)9-15-8-11/h7-9,13,16H,2-6,10H2,1H3
InChIKeyKDEQHBKGSTVIOZ-UHFFFAOYSA-N
MW237.32 g/mol
LogP1.79
Rot. Bonds4

About N-ethyl-1-[(5-fluoro-3-pyridinyl)methyl]piperidin-4-amine

N-ethyl-1-[(5-fluoro-3-pyridinyl)methyl]piperidin-4-amine (PubChem CID 114084046) has the molecular formula C13H20FN3 and a molecular weight of 237.32 g/mol. Its IUPAC name is N-ethyl-1-[(5-fluoro-3-pyridinyl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-ethyl-1-[(5-fluoro-3-pyridinyl)methyl]piperidin-4-amine
PubChem CID114084046
Molecular FormulaC13H20FN3
Molecular Weight237.32 g/mol
Exact Mass237.16
IUPAC NameN-ethyl-1-[(5-fluoro-3-pyridinyl)methyl]piperidin-4-amine
SMILESCCNC1CCN(Cc2cncc(F)c2)CC1
InChIInChI=1S/C13H20FN3/c1-2-16-13-3-5-17(6-4-13)10-11-7-12(14)9-15-8-11/h7-9,13,16H,2-6,10H2,1H3
InChIKeyKDEQHBKGSTVIOZ-UHFFFAOYSA-N
XLogP1.79
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-tert-butylpiperidin-1-yl)methyl]-5-fluoropyridine
CID 70894132
3-fluoro-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridine
CID 171323447
ethyl 1-[(5-fluoro-3-pyridinyl)methyl]piperidine-4-carboxylate
CID 113470964
(3R)-N-ethyl-1-[(4-fluorophenyl)methyl]pyrrolidin-3-amine
CID 59641914
1-(3,5-difluorophenyl)-N-ethylpiperidin-4-amine
CID 43315453
1-[(5-fluoro-3-pyridinyl)methyl]-3,5-dimethylpiperazine
CID 104973765
4-[(5-fluoro-3-pyridinyl)methyl]piperazine-1-sulfonyl fluoride
CID 154879461
4-[(5-fluoro-3-pyridinyl)methyl]-2-methylthiomorpholine
CID 126789555
methyl 1-[(5-fluoro-3-pyridinyl)methyl]piperidine-3-carboxylate
CID 104956290
N-[3-(5-fluoro-3-pyridinyl)-2-methylpropyl]cyclopropanamine
CID 64666695
N-ethyl-1-(1,2-oxazol-3-ylmethyl)piperidin-4-amine
CID 81178472
1-[(2,4-difluorophenyl)methyl]-4-[(5-fluoro-3-pyridinyl)methyl]piperazine
CID 165433313

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[(5-fluoro-3-pyridinyl)methyl]piperidin-4-amine?
The IUPAC name of N-ethyl-1-[(5-fluoro-3-pyridinyl)methyl]piperidin-4-amine (CID 114084046) is N-ethyl-1-[(5-fluoro-3-pyridinyl)methyl]piperidin-4-amine.
What is the SMILES notation for N-ethyl-1-[(5-fluoro-3-pyridinyl)methyl]piperidin-4-amine?
The canonical SMILES for N-ethyl-1-[(5-fluoro-3-pyridinyl)methyl]piperidin-4-amine is CCNC1CCN(Cc2cncc(F)c2)CC1.
What is the InChIKey of N-ethyl-1-[(5-fluoro-3-pyridinyl)methyl]piperidin-4-amine?
The InChIKey is KDEQHBKGSTVIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3/c1-2-16-13-3-5-17(6-4-13)10-11-7-12(14)9-15-8-11/h7-9,13,16H,2-6,10H2,1H3.
What are the key properties of N-ethyl-1-[(5-fluoro-3-pyridinyl)methyl]piperidin-4-amine?
N-ethyl-1-[(5-fluoro-3-pyridinyl)methyl]piperidin-4-amine has a molecular weight of 237.32 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[(5-fluoro-3-pyridinyl)methyl]piperidin-4-amine is sourced from PubChem (CID 114084046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).