(4-fluorophenyl)methyl 4-[[(3-methyl-2-pyridinyl)amino]methyl]piperidine-1-carboxylate

C20H24FN3O2 — CID 10155277

IUPAC(4-fluorophenyl)methyl 4-[[(3-methyl-2-pyridinyl)amino]methyl]piperidine-1-carboxylate
SMILESCc1cccnc1NCC1CCN(C(=O)OCc2ccc(F)cc2)CC1
InChIInChI=1S/C20H24FN3O2/c1-15-3-2-10-22-19(15)23-13-16-8-11-24(12-9-16)20(25)26-14-17-4-6-18(21)7-5-17/h2-7,10,16H,8-9,11-14H2,1H3,(H,22,23)
InChIKeyOVCNVKITMVTUJX-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.99
Rot. Bonds5

About (4-fluorophenyl)methyl 4-[[(3-methyl-2-pyridinyl)amino]methyl]piperidine-1-carboxylate

(4-fluorophenyl)methyl 4-[[(3-methyl-2-pyridinyl)amino]methyl]piperidine-1-carboxylate (PubChem CID 10155277) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is (4-fluorophenyl)methyl 4-[[(3-methyl-2-pyridinyl)amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name(4-fluorophenyl)methyl 4-[[(3-methyl-2-pyridinyl)amino]methyl]piperidine-1-carboxylate
PubChem CID10155277
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC Name(4-fluorophenyl)methyl 4-[[(3-methyl-2-pyridinyl)amino]methyl]piperidine-1-carboxylate
SMILESCc1cccnc1NCC1CCN(C(=O)OCc2ccc(F)cc2)CC1
InChIInChI=1S/C20H24FN3O2/c1-15-3-2-10-22-19(15)23-13-16-8-11-24(12-9-16)20(25)26-14-17-4-6-18(21)7-5-17/h2-7,10,16H,8-9,11-14H2,1H3,(H,22,23)
InChIKeyOVCNVKITMVTUJX-UHFFFAOYSA-N
XLogP3.99
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl 4-[[(3-methyl-2-pyridinyl)amino]methyl]piperidine-1-carboxylate?
The IUPAC name of (4-fluorophenyl)methyl 4-[[(3-methyl-2-pyridinyl)amino]methyl]piperidine-1-carboxylate (CID 10155277) is (4-fluorophenyl)methyl 4-[[(3-methyl-2-pyridinyl)amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for (4-fluorophenyl)methyl 4-[[(3-methyl-2-pyridinyl)amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for (4-fluorophenyl)methyl 4-[[(3-methyl-2-pyridinyl)amino]methyl]piperidine-1-carboxylate is Cc1cccnc1NCC1CCN(C(=O)OCc2ccc(F)cc2)CC1.
What is the InChIKey of (4-fluorophenyl)methyl 4-[[(3-methyl-2-pyridinyl)amino]methyl]piperidine-1-carboxylate?
The InChIKey is OVCNVKITMVTUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-15-3-2-10-22-19(15)23-13-16-8-11-24(12-9-16)20(25)26-14-17-4-6-18(21)7-5-17/h2-7,10,16H,8-9,11-14H2,1H3,(H,22,23).
What are the key properties of (4-fluorophenyl)methyl 4-[[(3-methyl-2-pyridinyl)amino]methyl]piperidine-1-carboxylate?
(4-fluorophenyl)methyl 4-[[(3-methyl-2-pyridinyl)amino]methyl]piperidine-1-carboxylate has a molecular weight of 357.43 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methyl 4-[[(3-methyl-2-pyridinyl)amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 10155277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).