benzyl N-[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]-N-methylcarbamate

C19H22FN3O2 — CID 20829958

IUPACbenzyl N-[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]-N-methylcarbamate
SMILESCN(C(=O)OCc1ccccc1)C1CCN(c2ccc(F)cn2)CC1
InChIInChI=1S/C19H22FN3O2/c1-22(19(24)25-14-15-5-3-2-4-6-15)17-9-11-23(12-10-17)18-8-7-16(20)13-21-18/h2-8,13,17H,9-12,14H2,1H3
InChIKeyRFMMZMPUVCTSAL-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.46
Rot. Bonds4

About benzyl N-[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]-N-methylcarbamate

benzyl N-[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]-N-methylcarbamate (PubChem CID 20829958) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is benzyl N-[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]-N-methylcarbamate.

Molecular Properties

Compound Namebenzyl N-[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]-N-methylcarbamate
PubChem CID20829958
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Namebenzyl N-[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]-N-methylcarbamate
SMILESCN(C(=O)OCc1ccccc1)C1CCN(c2ccc(F)cn2)CC1
InChIInChI=1S/C19H22FN3O2/c1-22(19(24)25-14-15-5-3-2-4-6-15)17-9-11-23(12-10-17)18-8-7-16(20)13-21-18/h2-8,13,17H,9-12,14H2,1H3
InChIKeyRFMMZMPUVCTSAL-UHFFFAOYSA-N
XLogP3.46
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]-N-methylcarbamate?
The IUPAC name of benzyl N-[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]-N-methylcarbamate (CID 20829958) is benzyl N-[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]-N-methylcarbamate.
What is the SMILES notation for benzyl N-[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]-N-methylcarbamate?
The canonical SMILES for benzyl N-[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]-N-methylcarbamate is CN(C(=O)OCc1ccccc1)C1CCN(c2ccc(F)cn2)CC1.
What is the InChIKey of benzyl N-[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]-N-methylcarbamate?
The InChIKey is RFMMZMPUVCTSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-22(19(24)25-14-15-5-3-2-4-6-15)17-9-11-23(12-10-17)18-8-7-16(20)13-21-18/h2-8,13,17H,9-12,14H2,1H3.
What are the key properties of benzyl N-[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]-N-methylcarbamate?
benzyl N-[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]-N-methylcarbamate has a molecular weight of 343.40 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]-N-methylcarbamate is sourced from PubChem (CID 20829958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).