(3,4-difluorophenyl)methyl N-piperidin-4-yl-N-propylcarbamate

C16H22F2N2O2 — CID 18677719

IUPAC(3,4-difluorophenyl)methyl N-piperidin-4-yl-N-propylcarbamate
SMILESCCCN(C(=O)OCc1ccc(F)c(F)c1)C1CCNCC1
InChIInChI=1S/C16H22F2N2O2/c1-2-9-20(13-5-7-19-8-6-13)16(21)22-11-12-3-4-14(17)15(18)10-12/h3-4,10,13,19H,2,5-9,11H2,1H3
InChIKeyJZEDLMOHLLMSDG-UHFFFAOYSA-N
MW312.36 g/mol
LogP3.07
Rot. Bonds5

About (3,4-difluorophenyl)methyl N-piperidin-4-yl-N-propylcarbamate

(3,4-difluorophenyl)methyl N-piperidin-4-yl-N-propylcarbamate (PubChem CID 18677719) has the molecular formula C16H22F2N2O2 and a molecular weight of 312.36 g/mol. Its IUPAC name is (3,4-difluorophenyl)methyl N-piperidin-4-yl-N-propylcarbamate.

Molecular Properties

Compound Name(3,4-difluorophenyl)methyl N-piperidin-4-yl-N-propylcarbamate
PubChem CID18677719
Molecular FormulaC16H22F2N2O2
Molecular Weight312.36 g/mol
Exact Mass312.16
IUPAC Name(3,4-difluorophenyl)methyl N-piperidin-4-yl-N-propylcarbamate
SMILESCCCN(C(=O)OCc1ccc(F)c(F)c1)C1CCNCC1
InChIInChI=1S/C16H22F2N2O2/c1-2-9-20(13-5-7-19-8-6-13)16(21)22-11-12-3-4-14(17)15(18)10-12/h3-4,10,13,19H,2,5-9,11H2,1H3
InChIKeyJZEDLMOHLLMSDG-UHFFFAOYSA-N
XLogP3.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-difluorophenyl)methyl N-piperidin-4-yl-N-propylcarbamate;hydrochloride
CID 18677718
(3,5-difluorophenyl)methyl N-piperidin-4-yl-N-propylcarbamate
CID 18677668
4-(3,4-difluorophenyl)-N-piperidin-4-yl-N-propylbutanamide
CID 119824702
4-(3,4-difluorophenyl)-4-oxo-N-piperidin-4-yl-N-propylbutanamide
CID 119824265
benzyl N-cyclopropyl-N-propylcarbamate
CID 130159300
benzyl N-(2-hydroxyethyl)-N-piperidin-4-ylcarbamate
CID 171068971
N-[(3,4-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921462
2-(3-chloro-4-fluorophenoxy)-N-piperidin-4-yl-N-propylacetamide
CID 119824506
4-[(3,4-difluorophenyl)methoxy]piperidine
CID 67355988
N-[(3,4-difluorophenyl)methyl]-N-ethylpiperidine-4-carboxamide
CID 60946411
3-fluoro-4-iodo-N-piperidin-4-yl-N-propylbenzamide
CID 119825905
4-ethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119823008

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)methyl N-piperidin-4-yl-N-propylcarbamate?
The IUPAC name of (3,4-difluorophenyl)methyl N-piperidin-4-yl-N-propylcarbamate (CID 18677719) is (3,4-difluorophenyl)methyl N-piperidin-4-yl-N-propylcarbamate.
What is the SMILES notation for (3,4-difluorophenyl)methyl N-piperidin-4-yl-N-propylcarbamate?
The canonical SMILES for (3,4-difluorophenyl)methyl N-piperidin-4-yl-N-propylcarbamate is CCCN(C(=O)OCc1ccc(F)c(F)c1)C1CCNCC1.
What is the InChIKey of (3,4-difluorophenyl)methyl N-piperidin-4-yl-N-propylcarbamate?
The InChIKey is JZEDLMOHLLMSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O2/c1-2-9-20(13-5-7-19-8-6-13)16(21)22-11-12-3-4-14(17)15(18)10-12/h3-4,10,13,19H,2,5-9,11H2,1H3.
What are the key properties of (3,4-difluorophenyl)methyl N-piperidin-4-yl-N-propylcarbamate?
(3,4-difluorophenyl)methyl N-piperidin-4-yl-N-propylcarbamate has a molecular weight of 312.36 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)methyl N-piperidin-4-yl-N-propylcarbamate is sourced from PubChem (CID 18677719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).