(3,5-difluorophenyl)methyl N-piperidin-4-yl-N-propylcarbamate

C16H22F2N2O2 — CID 18677668

IUPAC(3,5-difluorophenyl)methyl N-piperidin-4-yl-N-propylcarbamate
SMILESCCCN(C(=O)OCc1cc(F)cc(F)c1)C1CCNCC1
InChIInChI=1S/C16H22F2N2O2/c1-2-7-20(15-3-5-19-6-4-15)16(21)22-11-12-8-13(17)10-14(18)9-12/h8-10,15,19H,2-7,11H2,1H3
InChIKeyYTMLNJUSBBVSQP-UHFFFAOYSA-N
MW312.36 g/mol
LogP3.07
Rot. Bonds5

About (3,5-difluorophenyl)methyl N-piperidin-4-yl-N-propylcarbamate

(3,5-difluorophenyl)methyl N-piperidin-4-yl-N-propylcarbamate (PubChem CID 18677668) has the molecular formula C16H22F2N2O2 and a molecular weight of 312.36 g/mol. Its IUPAC name is (3,5-difluorophenyl)methyl N-piperidin-4-yl-N-propylcarbamate.

Molecular Properties

Compound Name(3,5-difluorophenyl)methyl N-piperidin-4-yl-N-propylcarbamate
PubChem CID18677668
Molecular FormulaC16H22F2N2O2
Molecular Weight312.36 g/mol
Exact Mass312.16
IUPAC Name(3,5-difluorophenyl)methyl N-piperidin-4-yl-N-propylcarbamate
SMILESCCCN(C(=O)OCc1cc(F)cc(F)c1)C1CCNCC1
InChIInChI=1S/C16H22F2N2O2/c1-2-7-20(15-3-5-19-6-4-15)16(21)22-11-12-8-13(17)10-14(18)9-12/h8-10,15,19H,2-7,11H2,1H3
InChIKeyYTMLNJUSBBVSQP-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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Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl)methyl N-piperidin-4-yl-N-propylcarbamate?
The IUPAC name of (3,5-difluorophenyl)methyl N-piperidin-4-yl-N-propylcarbamate (CID 18677668) is (3,5-difluorophenyl)methyl N-piperidin-4-yl-N-propylcarbamate.
What is the SMILES notation for (3,5-difluorophenyl)methyl N-piperidin-4-yl-N-propylcarbamate?
The canonical SMILES for (3,5-difluorophenyl)methyl N-piperidin-4-yl-N-propylcarbamate is CCCN(C(=O)OCc1cc(F)cc(F)c1)C1CCNCC1.
What is the InChIKey of (3,5-difluorophenyl)methyl N-piperidin-4-yl-N-propylcarbamate?
The InChIKey is YTMLNJUSBBVSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O2/c1-2-7-20(15-3-5-19-6-4-15)16(21)22-11-12-8-13(17)10-14(18)9-12/h8-10,15,19H,2-7,11H2,1H3.
What are the key properties of (3,5-difluorophenyl)methyl N-piperidin-4-yl-N-propylcarbamate?
(3,5-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 (3,5-difluorophenyl)methyl N-piperidin-4-yl-N-propylcarbamate is sourced from PubChem (CID 18677668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).