[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]carbamic acid

C17H18FN3O2 — CID 67137197

IUPAC[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]carbamic acid
SMILESO=C(O)NC1CCN(c2ccc(-c3ccc(F)cc3)cn2)CC1
InChIInChI=1S/C17H18FN3O2/c18-14-4-1-12(2-5-14)13-3-6-16(19-11-13)21-9-7-15(8-10-21)20-17(22)23/h1-6,11,15,20H,7-10H2,(H,22,23)
InChIKeyMYBZBLPSWATMMU-UHFFFAOYSA-N
MW315.35 g/mol
LogP3.12
Rot. Bonds3

About [1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]carbamic acid

[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]carbamic acid (PubChem CID 67137197) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is [1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]carbamic acid.

Molecular Properties

Compound Name[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]carbamic acid
PubChem CID67137197
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]carbamic acid
SMILESO=C(O)NC1CCN(c2ccc(-c3ccc(F)cc3)cn2)CC1
InChIInChI=1S/C17H18FN3O2/c18-14-4-1-12(2-5-14)13-3-6-16(19-11-13)21-9-7-15(8-10-21)20-17(22)23/h1-6,11,15,20H,7-10H2,(H,22,23)
InChIKeyMYBZBLPSWATMMU-UHFFFAOYSA-N
XLogP3.12
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]carbamic acid?
The IUPAC name of [1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]carbamic acid (CID 67137197) is [1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]carbamic acid.
What is the SMILES notation for [1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]carbamic acid?
The canonical SMILES for [1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]carbamic acid is O=C(O)NC1CCN(c2ccc(-c3ccc(F)cc3)cn2)CC1.
What is the InChIKey of [1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]carbamic acid?
The InChIKey is MYBZBLPSWATMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c18-14-4-1-12(2-5-14)13-3-6-16(19-11-13)21-9-7-15(8-10-21)20-17(22)23/h1-6,11,15,20H,7-10H2,(H,22,23).
What are the key properties of [1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]carbamic acid?
[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]carbamic acid has a molecular weight of 315.35 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]carbamic acid is sourced from PubChem (CID 67137197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).