methyl N-(1-cyclohexylpiperidin-4-yl)-N-(4-fluorophenyl)carbamate

C19H27FN2O2 — CID 11952105

IUPACmethyl N-(1-cyclohexylpiperidin-4-yl)-N-(4-fluorophenyl)carbamate
SMILESCOC(=O)N(c1ccc(F)cc1)C1CCN(C2CCCCC2)CC1
InChIInChI=1S/C19H27FN2O2/c1-24-19(23)22(17-9-7-15(20)8-10-17)18-11-13-21(14-12-18)16-5-3-2-4-6-16/h7-10,16,18H,2-6,11-14H2,1H3
InChIKeyPNDHDRWOXBKBPP-UHFFFAOYSA-N
MW334.43 g/mol
LogP4.20
Rot. Bonds3

About methyl N-(1-cyclohexylpiperidin-4-yl)-N-(4-fluorophenyl)carbamate

methyl N-(1-cyclohexylpiperidin-4-yl)-N-(4-fluorophenyl)carbamate (PubChem CID 11952105) has the molecular formula C19H27FN2O2 and a molecular weight of 334.43 g/mol. Its IUPAC name is methyl N-(1-cyclohexylpiperidin-4-yl)-N-(4-fluorophenyl)carbamate.

Molecular Properties

Compound Namemethyl N-(1-cyclohexylpiperidin-4-yl)-N-(4-fluorophenyl)carbamate
PubChem CID11952105
Molecular FormulaC19H27FN2O2
Molecular Weight334.43 g/mol
Exact Mass334.21
IUPAC Namemethyl N-(1-cyclohexylpiperidin-4-yl)-N-(4-fluorophenyl)carbamate
SMILESCOC(=O)N(c1ccc(F)cc1)C1CCN(C2CCCCC2)CC1
InChIInChI=1S/C19H27FN2O2/c1-24-19(23)22(17-9-7-15(20)8-10-17)18-11-13-21(14-12-18)16-5-3-2-4-6-16/h7-10,16,18H,2-6,11-14H2,1H3
InChIKeyPNDHDRWOXBKBPP-UHFFFAOYSA-N
XLogP4.20
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl N-(1-cyclohexylpiperidin-4-yl)-N-(4-fluorophenyl)carbamate?
The IUPAC name of methyl N-(1-cyclohexylpiperidin-4-yl)-N-(4-fluorophenyl)carbamate (CID 11952105) is methyl N-(1-cyclohexylpiperidin-4-yl)-N-(4-fluorophenyl)carbamate.
What is the SMILES notation for methyl N-(1-cyclohexylpiperidin-4-yl)-N-(4-fluorophenyl)carbamate?
The canonical SMILES for methyl N-(1-cyclohexylpiperidin-4-yl)-N-(4-fluorophenyl)carbamate is COC(=O)N(c1ccc(F)cc1)C1CCN(C2CCCCC2)CC1.
What is the InChIKey of methyl N-(1-cyclohexylpiperidin-4-yl)-N-(4-fluorophenyl)carbamate?
The InChIKey is PNDHDRWOXBKBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O2/c1-24-19(23)22(17-9-7-15(20)8-10-17)18-11-13-21(14-12-18)16-5-3-2-4-6-16/h7-10,16,18H,2-6,11-14H2,1H3.
What are the key properties of methyl N-(1-cyclohexylpiperidin-4-yl)-N-(4-fluorophenyl)carbamate?
methyl N-(1-cyclohexylpiperidin-4-yl)-N-(4-fluorophenyl)carbamate has a molecular weight of 334.43 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(1-cyclohexylpiperidin-4-yl)-N-(4-fluorophenyl)carbamate is sourced from PubChem (CID 11952105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).