N-[(5-chloro-2-fluorophenyl)methyl]-2-piperidin-3-ylethanamine

C14H20ClFN2 — CID 117044344

IUPACN-[(5-chloro-2-fluorophenyl)methyl]-2-piperidin-3-ylethanamine
SMILESFc1ccc(Cl)cc1CNCCC1CCCNC1
InChIInChI=1S/C14H20ClFN2/c15-13-3-4-14(16)12(8-13)10-18-7-5-11-2-1-6-17-9-11/h3-4,8,11,17-18H,1-2,5-7,9-10H2
InChIKeyFXASTKZCKNFEAI-UHFFFAOYSA-N
MW270.78 g/mol
LogP2.96
Rot. Bonds5

About N-[(5-chloro-2-fluorophenyl)methyl]-2-piperidin-3-ylethanamine

N-[(5-chloro-2-fluorophenyl)methyl]-2-piperidin-3-ylethanamine (PubChem CID 117044344) has the molecular formula C14H20ClFN2 and a molecular weight of 270.78 g/mol. Its IUPAC name is N-[(5-chloro-2-fluorophenyl)methyl]-2-piperidin-3-ylethanamine.

Molecular Properties

Compound NameN-[(5-chloro-2-fluorophenyl)methyl]-2-piperidin-3-ylethanamine
PubChem CID117044344
Molecular FormulaC14H20ClFN2
Molecular Weight270.78 g/mol
Exact Mass270.13
IUPAC NameN-[(5-chloro-2-fluorophenyl)methyl]-2-piperidin-3-ylethanamine
SMILESFc1ccc(Cl)cc1CNCCC1CCCNC1
InChIInChI=1S/C14H20ClFN2/c15-13-3-4-14(16)12(8-13)10-18-7-5-11-2-1-6-17-9-11/h3-4,8,11,17-18H,1-2,5-7,9-10H2
InChIKeyFXASTKZCKNFEAI-UHFFFAOYSA-N
XLogP2.96
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(5-bromo-2-fluorophenyl)methyl]-2-pyrrolidin-3-ylethanamine
CID 115210777
N-[2-(2-fluorophenyl)ethyl]-2-piperidin-3-ylethanamine
CID 115211436
2-(2,5-difluorophenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 119556859
N-[(5-chloro-2-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 120851649
2-(2,5-difluorophenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119556858
N-[(3,4-difluorophenyl)methyl]-2-pyrrolidin-3-ylethanamine
CID 115210742
3-[2-(2,5-difluorophenyl)ethyl]piperidine
CID 62234772
N-[(5-chloro-2-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624365
4-chloro-2-(2-piperidin-3-ylethylamino)benzonitrile
CID 55247842
2-piperidin-3-yl-N-[(4-propylphenyl)methyl]ethanamine
CID 115211361
5-chloro-2-(difluoromethoxy)-N-(2-piperidin-3-ylethyl)benzamide
CID 119556038
N-[(5-chloro-2-methoxyphenyl)methyl]-2-cyclohexylethanamine
CID 63450398

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-fluorophenyl)methyl]-2-piperidin-3-ylethanamine?
The IUPAC name of N-[(5-chloro-2-fluorophenyl)methyl]-2-piperidin-3-ylethanamine (CID 117044344) is N-[(5-chloro-2-fluorophenyl)methyl]-2-piperidin-3-ylethanamine.
What is the SMILES notation for N-[(5-chloro-2-fluorophenyl)methyl]-2-piperidin-3-ylethanamine?
The canonical SMILES for N-[(5-chloro-2-fluorophenyl)methyl]-2-piperidin-3-ylethanamine is Fc1ccc(Cl)cc1CNCCC1CCCNC1.
What is the InChIKey of N-[(5-chloro-2-fluorophenyl)methyl]-2-piperidin-3-ylethanamine?
The InChIKey is FXASTKZCKNFEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2/c15-13-3-4-14(16)12(8-13)10-18-7-5-11-2-1-6-17-9-11/h3-4,8,11,17-18H,1-2,5-7,9-10H2.
What are the key properties of N-[(5-chloro-2-fluorophenyl)methyl]-2-piperidin-3-ylethanamine?
N-[(5-chloro-2-fluorophenyl)methyl]-2-piperidin-3-ylethanamine has a molecular weight of 270.78 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-fluorophenyl)methyl]-2-piperidin-3-ylethanamine is sourced from PubChem (CID 117044344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).