N-[1-(2,4-difluorophenyl)ethyl]-N-(piperidin-4-ylmethyl)propan-2-amine

C17H26F2N2 — CID 79698898

IUPACN-[1-(2,4-difluorophenyl)ethyl]-N-(piperidin-4-ylmethyl)propan-2-amine
SMILESCC(C)N(CC1CCNCC1)C(C)c1ccc(F)cc1F
InChIInChI=1S/C17H26F2N2/c1-12(2)21(11-14-6-8-20-9-7-14)13(3)16-5-4-15(18)10-17(16)19/h4-5,10,12-14,20H,6-9,11H2,1-3H3
InChIKeyDRYHHQOWSUVCLI-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.74
Rot. Bonds5

About N-[1-(2,4-difluorophenyl)ethyl]-N-(piperidin-4-ylmethyl)propan-2-amine

N-[1-(2,4-difluorophenyl)ethyl]-N-(piperidin-4-ylmethyl)propan-2-amine (PubChem CID 79698898) has the molecular formula C17H26F2N2 and a molecular weight of 296.40 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)ethyl]-N-(piperidin-4-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)ethyl]-N-(piperidin-4-ylmethyl)propan-2-amine
PubChem CID79698898
Molecular FormulaC17H26F2N2
Molecular Weight296.40 g/mol
Exact Mass296.21
IUPAC NameN-[1-(2,4-difluorophenyl)ethyl]-N-(piperidin-4-ylmethyl)propan-2-amine
SMILESCC(C)N(CC1CCNCC1)C(C)c1ccc(F)cc1F
InChIInChI=1S/C17H26F2N2/c1-12(2)21(11-14-6-8-20-9-7-14)13(3)16-5-4-15(18)10-17(16)19/h4-5,10,12-14,20H,6-9,11H2,1-3H3
InChIKeyDRYHHQOWSUVCLI-UHFFFAOYSA-N
XLogP3.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79715924
N-[1-(2,4-dimethylphenyl)ethyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79698904
1-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-2-amine
CID 114832441
N-[1-(2,4-difluorophenyl)ethyl]-N-methylazepan-4-amine
CID 107172162
N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-2-amine
CID 16768057
2,4-difluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 79702095
N-[1-(2,4-difluorophenyl)ethyl]-N-ethylpyrrolidin-3-amine
CID 63299279
3-fluoro-4-[1-[piperidin-2-ylmethyl(propan-2-yl)amino]ethyl]phenol
CID 107720853
N-[1-(2-chloro-4-fluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106622086
2,5-difluoro-N-methyl-N-(piperidin-4-ylmethyl)aniline
CID 115209874
3,5-difluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine
CID 112676220
1-(2,4-difluorophenyl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine
CID 106622772

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-N-(piperidin-4-ylmethyl)propan-2-amine?
The IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-N-(piperidin-4-ylmethyl)propan-2-amine (CID 79698898) is N-[1-(2,4-difluorophenyl)ethyl]-N-(piperidin-4-ylmethyl)propan-2-amine.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)ethyl]-N-(piperidin-4-ylmethyl)propan-2-amine?
The canonical SMILES for N-[1-(2,4-difluorophenyl)ethyl]-N-(piperidin-4-ylmethyl)propan-2-amine is CC(C)N(CC1CCNCC1)C(C)c1ccc(F)cc1F.
What is the InChIKey of N-[1-(2,4-difluorophenyl)ethyl]-N-(piperidin-4-ylmethyl)propan-2-amine?
The InChIKey is DRYHHQOWSUVCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F2N2/c1-12(2)21(11-14-6-8-20-9-7-14)13(3)16-5-4-15(18)10-17(16)19/h4-5,10,12-14,20H,6-9,11H2,1-3H3.
What are the key properties of N-[1-(2,4-difluorophenyl)ethyl]-N-(piperidin-4-ylmethyl)propan-2-amine?
N-[1-(2,4-difluorophenyl)ethyl]-N-(piperidin-4-ylmethyl)propan-2-amine has a molecular weight of 296.40 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)ethyl]-N-(piperidin-4-ylmethyl)propan-2-amine is sourced from PubChem (CID 79698898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).