N-[1-(2-chloro-4-fluorophenyl)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine

C17H26ClFN2 — CID 106625264

IUPACN-[1-(2-chloro-4-fluorophenyl)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine
SMILESCCCN(CC1CCCNC1)C(C)c1ccc(F)cc1Cl
InChIInChI=1S/C17H26ClFN2/c1-3-9-21(12-14-5-4-8-20-11-14)13(2)16-7-6-15(19)10-17(16)18/h6-7,10,13-14,20H,3-5,8-9,11-12H2,1-2H3
InChIKeyPYQKXSPZTXYZKT-UHFFFAOYSA-N
MW312.86 g/mol
LogP4.25
Rot. Bonds6

About N-[1-(2-chloro-4-fluorophenyl)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine

N-[1-(2-chloro-4-fluorophenyl)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine (PubChem CID 106625264) has the molecular formula C17H26ClFN2 and a molecular weight of 312.86 g/mol. Its IUPAC name is N-[1-(2-chloro-4-fluorophenyl)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-chloro-4-fluorophenyl)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine
PubChem CID106625264
Molecular FormulaC17H26ClFN2
Molecular Weight312.86 g/mol
Exact Mass312.18
IUPAC NameN-[1-(2-chloro-4-fluorophenyl)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine
SMILESCCCN(CC1CCCNC1)C(C)c1ccc(F)cc1Cl
InChIInChI=1S/C17H26ClFN2/c1-3-9-21(12-14-5-4-8-20-11-14)13(2)16-7-6-15(19)10-17(16)18/h6-7,10,13-14,20H,3-5,8-9,11-12H2,1-2H3
InChIKeyPYQKXSPZTXYZKT-UHFFFAOYSA-N
XLogP4.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.86
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3,5-difluorophenyl)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625272
2-[1-[piperidin-3-ylmethyl(propyl)amino]ethyl]phenol
CID 106625108
1-(3-fluorophenyl)-N-(piperidin-3-ylmethyl)-N-propylpropan-2-amine
CID 106625188
3-[1-[piperidin-3-ylmethyl(propyl)amino]ethyl]benzonitrile
CID 106625324
N-[(2-bromo-5-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106637553
1-phenyl-N-(piperidin-3-ylmethyl)-N-propylpropan-2-amine
CID 106625214
1-(2-chlorophenyl)-N-methyl-N-[[(3R)-piperidin-3-yl]methyl]ethanamine
CID 112736627
N-[(4-fluoro-2-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625464
5-fluoro-2-[1-[piperidin-3-yl(propyl)amino]ethyl]phenol
CID 63636382
N-[(2-chloro-4-fluorophenyl)methyl]-N-propylpiperidin-3-amine
CID 63637857
4-fluoro-2-hydroxy-N-(piperidin-3-ylmethyl)-N-propylbenzamide
CID 107016147
4-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzenesulfonamide
CID 106631281

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chloro-4-fluorophenyl)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine?
The IUPAC name of N-[1-(2-chloro-4-fluorophenyl)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine (CID 106625264) is N-[1-(2-chloro-4-fluorophenyl)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine.
What is the SMILES notation for N-[1-(2-chloro-4-fluorophenyl)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine?
The canonical SMILES for N-[1-(2-chloro-4-fluorophenyl)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine is CCCN(CC1CCCNC1)C(C)c1ccc(F)cc1Cl.
What is the InChIKey of N-[1-(2-chloro-4-fluorophenyl)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine?
The InChIKey is PYQKXSPZTXYZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClFN2/c1-3-9-21(12-14-5-4-8-20-11-14)13(2)16-7-6-15(19)10-17(16)18/h6-7,10,13-14,20H,3-5,8-9,11-12H2,1-2H3.
What are the key properties of N-[1-(2-chloro-4-fluorophenyl)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine?
N-[1-(2-chloro-4-fluorophenyl)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine has a molecular weight of 312.86 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chloro-4-fluorophenyl)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 106625264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).