N-[(2-chloro-6-fluorophenyl)methyl]-1-cyclopropylpiperidin-4-amine

C15H20ClFN2 — CID 43234137

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-1-cyclopropylpiperidin-4-amine
SMILESFc1cccc(Cl)c1CNC1CCN(C2CC2)CC1
InChIInChI=1S/C15H20ClFN2/c16-14-2-1-3-15(17)13(14)10-18-11-6-8-19(9-7-11)12-4-5-12/h1-3,11-12,18H,4-10H2
InChIKeyURHJCNIBWYJTSJ-UHFFFAOYSA-N
MW282.79 g/mol
LogP3.20
Rot. Bonds4

About N-[(2-chloro-6-fluorophenyl)methyl]-1-cyclopropylpiperidin-4-amine

N-[(2-chloro-6-fluorophenyl)methyl]-1-cyclopropylpiperidin-4-amine (PubChem CID 43234137) has the molecular formula C15H20ClFN2 and a molecular weight of 282.79 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-1-cyclopropylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-1-cyclopropylpiperidin-4-amine
PubChem CID43234137
Molecular FormulaC15H20ClFN2
Molecular Weight282.79 g/mol
Exact Mass282.13
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-1-cyclopropylpiperidin-4-amine
SMILESFc1cccc(Cl)c1CNC1CCN(C2CC2)CC1
InChIInChI=1S/C15H20ClFN2/c16-14-2-1-3-15(17)13(14)10-18-11-6-8-19(9-7-11)12-4-5-12/h1-3,11-12,18H,4-10H2
InChIKeyURHJCNIBWYJTSJ-UHFFFAOYSA-N
XLogP3.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.79
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]cycloheptanamine
CID 4720325
N-[(3-chloro-4-fluorophenyl)methyl]-1-cyclopropylpiperidin-4-amine
CID 81144619
N-[(2,6-dichlorophenyl)methyl]-1-methylpiperidin-4-amine
CID 43215915
N-[(2-chloro-6-fluorophenyl)methyl]-3-methylcyclopentan-1-amine
CID 115652971
N-[[2-chloro-6-(2-fluorophenoxy)phenyl]methyl]cyclopropanamine
CID 43282911
(3S)-N-[(2-chloro-6-fluorophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 834291
1-cyclopropyl-N-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 43234139
cyclopropyl-[4-[(2,6-dichlorophenyl)methylamino]piperidin-1-yl]methanone
CID 43434750
3-[(2-chloro-6-fluorophenyl)methylamino]oxolan-2-one
CID 43824109
1-[(2-chloro-6-fluorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]piperidin-4-amine
CID 86813464
N-[2-(2-chloro-6-fluorophenyl)ethyl]cyclopentanamine
CID 60984156
N-[(2-chloro-6-pyrrolidin-1-ylphenyl)methyl]cyclopropanamine
CID 43280283

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-1-cyclopropylpiperidin-4-amine?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-1-cyclopropylpiperidin-4-amine (CID 43234137) is N-[(2-chloro-6-fluorophenyl)methyl]-1-cyclopropylpiperidin-4-amine.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-1-cyclopropylpiperidin-4-amine?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-1-cyclopropylpiperidin-4-amine is Fc1cccc(Cl)c1CNC1CCN(C2CC2)CC1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-1-cyclopropylpiperidin-4-amine?
The InChIKey is URHJCNIBWYJTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFN2/c16-14-2-1-3-15(17)13(14)10-18-11-6-8-19(9-7-11)12-4-5-12/h1-3,11-12,18H,4-10H2.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-1-cyclopropylpiperidin-4-amine?
N-[(2-chloro-6-fluorophenyl)methyl]-1-cyclopropylpiperidin-4-amine has a molecular weight of 282.79 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-1-cyclopropylpiperidin-4-amine is sourced from PubChem (CID 43234137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).