N-[1-(3,5-difluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine

C17H26F2N2 — CID 106623383

IUPACN-[1-(3,5-difluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine
SMILESCCCN(CC1CCCCN1)C(C)c1cc(F)cc(F)c1
InChIInChI=1S/C17H26F2N2/c1-3-8-21(12-17-6-4-5-7-20-17)13(2)14-9-15(18)11-16(19)10-14/h9-11,13,17,20H,3-8,12H2,1-2H3
InChIKeyFXATYTDCNXGDPI-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.88
Rot. Bonds6

About N-[1-(3,5-difluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine

N-[1-(3,5-difluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine (PubChem CID 106623383) has the molecular formula C17H26F2N2 and a molecular weight of 296.40 g/mol. Its IUPAC name is N-[1-(3,5-difluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-[1-(3,5-difluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine
PubChem CID106623383
Molecular FormulaC17H26F2N2
Molecular Weight296.40 g/mol
Exact Mass296.21
IUPAC NameN-[1-(3,5-difluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine
SMILESCCCN(CC1CCCCN1)C(C)c1cc(F)cc(F)c1
InChIInChI=1S/C17H26F2N2/c1-3-8-21(12-17-6-4-5-7-20-17)13(2)14-9-15(18)11-16(19)10-14/h9-11,13,17,20H,3-8,12H2,1-2H3
InChIKeyFXATYTDCNXGDPI-UHFFFAOYSA-N
XLogP3.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106622443
N-[1-(2-fluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106623204
1-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propylpropan-1-amine
CID 106623207
N-[1-(3,5-difluorophenyl)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625272
N-[1-(3,5-difluorophenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599064
1-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propylpropan-2-amine
CID 106623292
N-[1-(5-methylthiophen-2-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106623202
N-[1-(5-fluoro-2-pyridinyl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603963
N-[1-(3-methoxyphenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106604112
4-methyl-2-[1-[piperidin-2-ylmethyl(propyl)amino]ethyl]phenol
CID 106623363
N-[1-(5-bromothiophen-2-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106623215
N-(piperidin-2-ylmethyl)-N-(1-pyridin-2-ylethyl)propan-1-amine
CID 106623353

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-difluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine?
The IUPAC name of N-[1-(3,5-difluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine (CID 106623383) is N-[1-(3,5-difluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine.
What is the SMILES notation for N-[1-(3,5-difluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine?
The canonical SMILES for N-[1-(3,5-difluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine is CCCN(CC1CCCCN1)C(C)c1cc(F)cc(F)c1.
What is the InChIKey of N-[1-(3,5-difluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine?
The InChIKey is FXATYTDCNXGDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F2N2/c1-3-8-21(12-17-6-4-5-7-20-17)13(2)14-9-15(18)11-16(19)10-14/h9-11,13,17,20H,3-8,12H2,1-2H3.
What are the key properties of N-[1-(3,5-difluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine?
N-[1-(3,5-difluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine has a molecular weight of 296.40 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-difluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 106623383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).