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

C17H26F2N2 — CID 106625272

IUPACN-[1-(3,5-difluorophenyl)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine
SMILESCCCN(CC1CCCNC1)C(C)c1cc(F)cc(F)c1
InChIInChI=1S/C17H26F2N2/c1-3-7-21(12-14-5-4-6-20-11-14)13(2)15-8-16(18)10-17(19)9-15/h8-10,13-14,20H,3-7,11-12H2,1-2H3
InChIKeyMPJMPNBHHHUDGU-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.74
Rot. Bonds6

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

N-[1-(3,5-difluorophenyl)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine (PubChem CID 106625272) 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-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-[1-(3,5-difluorophenyl)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine
PubChem CID106625272
Molecular FormulaC17H26F2N2
Molecular Weight296.40 g/mol
Exact Mass296.21
IUPAC NameN-[1-(3,5-difluorophenyl)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine
SMILESCCCN(CC1CCCNC1)C(C)c1cc(F)cc(F)c1
InChIInChI=1S/C17H26F2N2/c1-3-7-21(12-14-5-4-6-20-11-14)13(2)15-8-16(18)10-17(19)9-15/h8-10,13-14,20H,3-7,11-12H2,1-2H3
InChIKeyMPJMPNBHHHUDGU-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(2-chloro-4-fluorophenyl)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625264
3-[1-[piperidin-3-ylmethyl(propyl)amino]ethyl]benzonitrile
CID 106625324
N-[1-(3,5-difluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106623383
1-(3-fluorophenyl)-N-(piperidin-3-ylmethyl)-N-propylpropan-2-amine
CID 106625188
2-[1-[piperidin-3-ylmethyl(propyl)amino]ethyl]phenol
CID 106625108
1-phenyl-N-(piperidin-3-ylmethyl)-N-propylpropan-2-amine
CID 106625214
N-[[3-(difluoromethyl)phenyl]methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625184
N-ethyl-1-(3-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine
CID 106624697
N-[(2-bromo-5-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106637553
N-(piperidin-3-ylmethyl)-N-propylpent-1-yn-3-amine
CID 106640729
4-[1-[ethyl(piperidin-3-ylmethyl)amino]ethyl]benzonitrile
CID 106624478
N-[(4-fluoro-2-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625464

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-difluorophenyl)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine?
The IUPAC name of N-[1-(3,5-difluorophenyl)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine (CID 106625272) is N-[1-(3,5-difluorophenyl)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine.
What is the SMILES notation for N-[1-(3,5-difluorophenyl)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine?
The canonical SMILES for N-[1-(3,5-difluorophenyl)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine is CCCN(CC1CCCNC1)C(C)c1cc(F)cc(F)c1.
What is the InChIKey of N-[1-(3,5-difluorophenyl)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine?
The InChIKey is MPJMPNBHHHUDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F2N2/c1-3-7-21(12-14-5-4-6-20-11-14)13(2)15-8-16(18)10-17(19)9-15/h8-10,13-14,20H,3-7,11-12H2,1-2H3.
What are the key properties of N-[1-(3,5-difluorophenyl)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine?
N-[1-(3,5-difluorophenyl)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine has a molecular weight of 296.40 g/mol, XLogP of 3.74, 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-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 106625272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).