tert-butyl N-[3-(4-fluorophenyl)propyl]-N-piperidin-4-ylcarbamate

C19H29FN2O2 — CID 156539010

IUPACtert-butyl N-[3-(4-fluorophenyl)propyl]-N-piperidin-4-ylcarbamate
SMILESCC(C)(C)OC(=O)N(CCCc1ccc(F)cc1)C1CCNCC1
InChIInChI=1S/C19H29FN2O2/c1-19(2,3)24-18(23)22(17-10-12-21-13-11-17)14-4-5-15-6-8-16(20)9-7-15/h6-9,17,21H,4-5,10-14H2,1-3H3
InChIKeyZMYJUJGTUIUSIU-UHFFFAOYSA-N
MW336.45 g/mol
LogP3.75
Rot. Bonds5

About tert-butyl N-[3-(4-fluorophenyl)propyl]-N-piperidin-4-ylcarbamate

tert-butyl N-[3-(4-fluorophenyl)propyl]-N-piperidin-4-ylcarbamate (PubChem CID 156539010) has the molecular formula C19H29FN2O2 and a molecular weight of 336.45 g/mol. Its IUPAC name is tert-butyl N-[3-(4-fluorophenyl)propyl]-N-piperidin-4-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(4-fluorophenyl)propyl]-N-piperidin-4-ylcarbamate
PubChem CID156539010
Molecular FormulaC19H29FN2O2
Molecular Weight336.45 g/mol
Exact Mass336.22
IUPAC Nametert-butyl N-[3-(4-fluorophenyl)propyl]-N-piperidin-4-ylcarbamate
SMILESCC(C)(C)OC(=O)N(CCCc1ccc(F)cc1)C1CCNCC1
InChIInChI=1S/C19H29FN2O2/c1-19(2,3)24-18(23)22(17-10-12-21-13-11-17)14-4-5-15-6-8-16(20)9-7-15/h6-9,17,21H,4-5,10-14H2,1-3H3
InChIKeyZMYJUJGTUIUSIU-UHFFFAOYSA-N
XLogP3.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.45
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(1-acetylpiperidin-4-yl)-N-(3-phenylpropyl)carbamate;tert-butyl N-(3-phenylpropyl)-N-piperidin-4-ylcarbamate
CID 159612992
tert-butyl N-[(4-aminophenyl)methyl]-N-piperidin-4-ylcarbamate
CID 175016181
tert-butyl N-(3-fluoropropyl)-N-[(3S)-pyrrolidin-3-yl]carbamate
CID 58365097
tert-butyl N-[3-(4-isocyanophenoxy)propyl]-N-piperidin-4-ylcarbamate
CID 58996527
tert-butyl N-(2-fluoroethyl)-N-[(3R)-pyrrolidin-3-yl]carbamate
CID 87304052
tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-piperidin-4-ylcarbamate
CID 90457113
tert-butyl N-cyclopropyl-N-[3-(piperidin-4-ylmethylamino)propyl]carbamate
CID 107242902
tert-butyl N-[(3-aminophenyl)methyl]-N-piperidin-4-ylcarbamate
CID 69427895
tert-butyl N-butyl-N-cyclopropylcarbamate
CID 63788161
tert-butyl N-cyclopropyl-N-[3-[(2,4-difluorophenyl)sulfonylamino]propyl]carbamate
CID 55702797
tert-butyl N-(cyclohexylmethyl)-N-piperidin-4-ylcarbamate
CID 22120289
tert-butyl N-cyclobutyl-N-(3-hydroxypropyl)carbamate
CID 22397314

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(4-fluorophenyl)propyl]-N-piperidin-4-ylcarbamate?
The IUPAC name of tert-butyl N-[3-(4-fluorophenyl)propyl]-N-piperidin-4-ylcarbamate (CID 156539010) is tert-butyl N-[3-(4-fluorophenyl)propyl]-N-piperidin-4-ylcarbamate.
What is the SMILES notation for tert-butyl N-[3-(4-fluorophenyl)propyl]-N-piperidin-4-ylcarbamate?
The canonical SMILES for tert-butyl N-[3-(4-fluorophenyl)propyl]-N-piperidin-4-ylcarbamate is CC(C)(C)OC(=O)N(CCCc1ccc(F)cc1)C1CCNCC1.
What is the InChIKey of tert-butyl N-[3-(4-fluorophenyl)propyl]-N-piperidin-4-ylcarbamate?
The InChIKey is ZMYJUJGTUIUSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN2O2/c1-19(2,3)24-18(23)22(17-10-12-21-13-11-17)14-4-5-15-6-8-16(20)9-7-15/h6-9,17,21H,4-5,10-14H2,1-3H3.
What are the key properties of tert-butyl N-[3-(4-fluorophenyl)propyl]-N-piperidin-4-ylcarbamate?
tert-butyl N-[3-(4-fluorophenyl)propyl]-N-piperidin-4-ylcarbamate has a molecular weight of 336.45 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(4-fluorophenyl)propyl]-N-piperidin-4-ylcarbamate is sourced from PubChem (CID 156539010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).