1-[1-(5-fluoro-2-pyridinyl)piperidin-3-yl]-N-methylmethanamine

C12H18FN3 — CID 61313343

IUPAC1-[1-(5-fluoro-2-pyridinyl)piperidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCCN(c2ccc(F)cn2)C1
InChIInChI=1S/C12H18FN3/c1-14-7-10-3-2-6-16(9-10)12-5-4-11(13)8-15-12/h4-5,8,10,14H,2-3,6-7,9H2,1H3
InChIKeyZCPKZZOVUQRSAO-UHFFFAOYSA-N
MW223.29 g/mol
LogP1.66
Rot. Bonds3

About 1-[1-(5-fluoro-2-pyridinyl)piperidin-3-yl]-N-methylmethanamine

1-[1-(5-fluoro-2-pyridinyl)piperidin-3-yl]-N-methylmethanamine (PubChem CID 61313343) has the molecular formula C12H18FN3 and a molecular weight of 223.29 g/mol. Its IUPAC name is 1-[1-(5-fluoro-2-pyridinyl)piperidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(5-fluoro-2-pyridinyl)piperidin-3-yl]-N-methylmethanamine
PubChem CID61313343
Molecular FormulaC12H18FN3
Molecular Weight223.29 g/mol
Exact Mass223.15
IUPAC Name1-[1-(5-fluoro-2-pyridinyl)piperidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCCN(c2ccc(F)cn2)C1
InChIInChI=1S/C12H18FN3/c1-14-7-10-3-2-6-16(9-10)12-5-4-11(13)8-15-12/h4-5,8,10,14H,2-3,6-7,9H2,1H3
InChIKeyZCPKZZOVUQRSAO-UHFFFAOYSA-N
XLogP1.66
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-fluoro-2-pyridinyl)piperidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(5-fluoro-2-pyridinyl)piperidin-3-yl]-N-methylmethanamine (CID 61313343) is 1-[1-(5-fluoro-2-pyridinyl)piperidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(5-fluoro-2-pyridinyl)piperidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(5-fluoro-2-pyridinyl)piperidin-3-yl]-N-methylmethanamine is CNCC1CCCN(c2ccc(F)cn2)C1.
What is the InChIKey of 1-[1-(5-fluoro-2-pyridinyl)piperidin-3-yl]-N-methylmethanamine?
The InChIKey is ZCPKZZOVUQRSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3/c1-14-7-10-3-2-6-16(9-10)12-5-4-11(13)8-15-12/h4-5,8,10,14H,2-3,6-7,9H2,1H3.
What are the key properties of 1-[1-(5-fluoro-2-pyridinyl)piperidin-3-yl]-N-methylmethanamine?
1-[1-(5-fluoro-2-pyridinyl)piperidin-3-yl]-N-methylmethanamine has a molecular weight of 223.29 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-fluoro-2-pyridinyl)piperidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 61313343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).