N-[(2-chloro-4-fluorophenyl)methyl]-N-propylpiperidin-3-amine

C15H22ClFN2 — CID 63637857

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-N-propylpiperidin-3-amine
SMILESCCCN(Cc1ccc(F)cc1Cl)C1CCCNC1
InChIInChI=1S/C15H22ClFN2/c1-2-8-19(14-4-3-7-18-10-14)11-12-5-6-13(17)9-15(12)16/h5-6,9,14,18H,2-4,7-8,10-11H2,1H3
InChIKeyMROKZCBNUCYBDW-UHFFFAOYSA-N
MW284.81 g/mol
LogP3.44
Rot. Bonds5

About N-[(2-chloro-4-fluorophenyl)methyl]-N-propylpiperidin-3-amine

N-[(2-chloro-4-fluorophenyl)methyl]-N-propylpiperidin-3-amine (PubChem CID 63637857) has the molecular formula C15H22ClFN2 and a molecular weight of 284.81 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-N-propylpiperidin-3-amine.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-N-propylpiperidin-3-amine
PubChem CID63637857
Molecular FormulaC15H22ClFN2
Molecular Weight284.81 g/mol
Exact Mass284.15
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-N-propylpiperidin-3-amine
SMILESCCCN(Cc1ccc(F)cc1Cl)C1CCCNC1
InChIInChI=1S/C15H22ClFN2/c1-2-8-19(14-4-3-7-18-10-14)11-12-5-6-13(17)9-15(12)16/h5-6,9,14,18H,2-4,7-8,10-11H2,1H3
InChIKeyMROKZCBNUCYBDW-UHFFFAOYSA-N
XLogP3.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromo-5-fluorophenyl)methyl]-N-propylpiperidin-3-amine
CID 63636123
3-chloro-4-[[piperidin-3-yl(propyl)amino]methyl]benzonitrile
CID 102669224
N-[(2-chloro-4-fluorophenyl)methyl]-N-ethylpyrrolidin-3-amine
CID 63300164
N-[(2,5-dichlorophenyl)methyl]-N-propylpiperidin-3-amine
CID 65316896
N-[(2,4-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921538
N-[(4-chloro-2-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 114851223
5-fluoro-2-[[propyl(pyrrolidin-3-yl)amino]methyl]benzonitrile
CID 63304215
N-(2-bromoethyl)-N-[(2-chloro-4-fluorophenyl)methyl]cyclobutanamine
CID 102860916
N-(2-chloroethyl)-N-[(2-chloro-4-fluorophenyl)methyl]cyclopropanamine
CID 63387646
N-[(2,5-difluorophenyl)methyl]-N-propylazetidin-3-amine
CID 66182006
N-[(2-cyclopropylphenyl)methyl]-N-propylpiperidin-3-amine
CID 79983628
2-[(2-chloro-4-fluorophenyl)methyl-cyclohexylamino]ethanol
CID 60694126

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-N-propylpiperidin-3-amine?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-N-propylpiperidin-3-amine (CID 63637857) is N-[(2-chloro-4-fluorophenyl)methyl]-N-propylpiperidin-3-amine.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-N-propylpiperidin-3-amine?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-N-propylpiperidin-3-amine is CCCN(Cc1ccc(F)cc1Cl)C1CCCNC1.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-N-propylpiperidin-3-amine?
The InChIKey is MROKZCBNUCYBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClFN2/c1-2-8-19(14-4-3-7-18-10-14)11-12-5-6-13(17)9-15(12)16/h5-6,9,14,18H,2-4,7-8,10-11H2,1H3.
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-N-propylpiperidin-3-amine?
N-[(2-chloro-4-fluorophenyl)methyl]-N-propylpiperidin-3-amine has a molecular weight of 284.81 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)methyl]-N-propylpiperidin-3-amine is sourced from PubChem (CID 63637857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).