N-[[3-fluoro-2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methyl]ethanamine

C14H22FN3O — CID 105390723

IUPACN-[[3-fluoro-2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccnc(OC2CCN(C)CC2)c1F
InChIInChI=1S/C14H22FN3O/c1-3-16-10-11-4-7-17-14(13(11)15)19-12-5-8-18(2)9-6-12/h4,7,12,16H,3,5-6,8-10H2,1-2H3
InChIKeyBNRJXLAAVYQDPD-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.80
Rot. Bonds5

About N-[[3-fluoro-2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methyl]ethanamine

N-[[3-fluoro-2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methyl]ethanamine (PubChem CID 105390723) has the molecular formula C14H22FN3O and a molecular weight of 267.35 g/mol. Its IUPAC name is N-[[3-fluoro-2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-fluoro-2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methyl]ethanamine
PubChem CID105390723
Molecular FormulaC14H22FN3O
Molecular Weight267.35 g/mol
Exact Mass267.17
IUPAC NameN-[[3-fluoro-2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccnc(OC2CCN(C)CC2)c1F
InChIInChI=1S/C14H22FN3O/c1-3-16-10-11-4-7-17-14(13(11)15)19-12-5-8-18(2)9-6-12/h4,7,12,16H,3,5-6,8-10H2,1-2H3
InChIKeyBNRJXLAAVYQDPD-UHFFFAOYSA-N
XLogP1.80
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[3-fluoro-2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methyl]ethanamine (CID 105390723) is N-[[3-fluoro-2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-fluoro-2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[3-fluoro-2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methyl]ethanamine is CCNCc1ccnc(OC2CCN(C)CC2)c1F.
What is the InChIKey of N-[[3-fluoro-2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methyl]ethanamine?
The InChIKey is BNRJXLAAVYQDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O/c1-3-16-10-11-4-7-17-14(13(11)15)19-12-5-8-18(2)9-6-12/h4,7,12,16H,3,5-6,8-10H2,1-2H3.
What are the key properties of N-[[3-fluoro-2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methyl]ethanamine?
N-[[3-fluoro-2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methyl]ethanamine has a molecular weight of 267.35 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 105390723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).