N-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-amine;dihydrochloride

C13H21Cl2FN2 — CID 126650805

IUPACN-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-amine;dihydrochloride
SMILESCN1CCC(NCc2ccc(F)cc2)CC1.Cl.Cl
InChIInChI=1S/C13H19FN2.2ClH/c1-16-8-6-13(7-9-16)15-10-11-2-4-12(14)5-3-11;;/h2-5,13,15H,6-10H2,1H3;2*1H
InChIKeyULMCAXBKXGWXFM-UHFFFAOYSA-N
MW295.23 g/mol
LogP2.85
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-amine;dihydrochloride

N-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-amine;dihydrochloride (PubChem CID 126650805) has the molecular formula C13H21Cl2FN2 and a molecular weight of 295.23 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-amine;dihydrochloride.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-amine;dihydrochloride
PubChem CID126650805
Molecular FormulaC13H21Cl2FN2
Molecular Weight295.23 g/mol
Exact Mass294.11
IUPAC NameN-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-amine;dihydrochloride
SMILESCN1CCC(NCc2ccc(F)cc2)CC1.Cl.Cl
InChIInChI=1S/C13H19FN2.2ClH/c1-16-8-6-13(7-9-16)15-10-11-2-4-12(14)5-3-11;;/h2-5,13,15H,6-10H2,1H3;2*1H
InChIKeyULMCAXBKXGWXFM-UHFFFAOYSA-N
XLogP2.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.23
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-fluorophenyl)methanamine;N-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-amine;methane;1-methylpiperidin-4-one
CID 157179730
N-[[4-(aminomethyl)phenyl]methyl]-1-methylpiperidin-4-amine
CID 115213157
N-benzyl-1-methylpiperidin-4-amine
CID 1114650
1-cyclopropyl-N-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 43234139
1-methyl-N-[(4-trimethylsilylphenyl)methyl]piperidin-4-amine
CID 103437564
1-methyl-N-[(4-phenylphenyl)methyl]piperidin-4-amine
CID 43215927
N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-methylpiperidin-4-amine
CID 175567978
N-[[4-(diethylaminomethyl)phenyl]methyl]-1-methylpiperidin-4-amine
CID 28680147
N-[[4-(4-chlorophenyl)phenyl]methyl]-1-methylpiperidin-4-amine
CID 23614409
1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine
CID 43216489
N-[(3,4-difluorophenyl)methyl]-1-methylazepan-4-amine
CID 65070298
N-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 22386980

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-amine;dihydrochloride?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-amine;dihydrochloride (CID 126650805) is N-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-amine;dihydrochloride.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-amine;dihydrochloride?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-amine;dihydrochloride is CN1CCC(NCc2ccc(F)cc2)CC1.Cl.Cl.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-amine;dihydrochloride?
The InChIKey is ULMCAXBKXGWXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2.2ClH/c1-16-8-6-13(7-9-16)15-10-11-2-4-12(14)5-3-11;;/h2-5,13,15H,6-10H2,1H3;2*1H.
What are the key properties of N-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-amine;dihydrochloride?
N-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-amine;dihydrochloride has a molecular weight of 295.23 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-amine;dihydrochloride is sourced from PubChem (CID 126650805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).