1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride

C18H24ClFN2O — CID 120781934

IUPAC1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
SMILESCC1(C)CN(Cc2ccc(-c3ccccc3F)o2)CCC1N.Cl
InChIInChI=1S/C18H23FN2O.ClH/c1-18(2)12-21(10-9-17(18)20)11-13-7-8-16(22-13)14-5-3-4-6-15(14)19;/h3-8,17H,9-12,20H2,1-2H3;1H
InChIKeySUKGNDYDBRPDOG-UHFFFAOYSA-N
MW338.85 g/mol
LogP4.07
Rot. Bonds3

About 1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride

1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride (PubChem CID 120781934) has the molecular formula C18H24ClFN2O and a molecular weight of 338.85 g/mol. Its IUPAC name is 1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
PubChem CID120781934
Molecular FormulaC18H24ClFN2O
Molecular Weight338.85 g/mol
Exact Mass338.16
IUPAC Name1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
SMILESCC1(C)CN(Cc2ccc(-c3ccccc3F)o2)CCC1N.Cl
InChIInChI=1S/C18H23FN2O.ClH/c1-18(2)12-21(10-9-17(18)20)11-13-7-8-16(22-13)14-5-3-4-6-15(14)19;/h3-8,17H,9-12,20H2,1-2H3;1H
InChIKeySUKGNDYDBRPDOG-UHFFFAOYSA-N
XLogP4.07
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.85
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methyl]-3,3-dimethylpiperidin-4-amine
CID 120781925
1-[(4-bromo-2-fluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120776732
1-[(2,5-difluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120775152
(2S)-1-[[5-(2-fluorophenyl)furan-2-yl]methyl]pyrrolidine-2-carboxylic acid
CID 122038731
1-[(3-fluoro-4-methylphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120782066
1-[(3-chloro-2-fluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120781953
1-[(2-ethylphenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 114267620
3,3-dimethyl-1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-amine;hydrochloride
CID 120967325
1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-4-(pyridin-3-ylmethyl)piperazine
CID 77081878
2-[[1-[[5-(3-fluoro-2-methylphenyl)furan-2-yl]methyl]piperidin-4-yl]-methylamino]acetic acid
CID 122042846
3,3-dimethyl-1-[(5-phenylthiophen-2-yl)methyl]piperidin-4-amine;hydrochloride
CID 120782200
2-[5-(2-fluorophenyl)furan-2-yl]ethanamine
CID 54775832

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride?
The IUPAC name of 1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride (CID 120781934) is 1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride?
The canonical SMILES for 1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride is CC1(C)CN(Cc2ccc(-c3ccccc3F)o2)CCC1N.Cl.
What is the InChIKey of 1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride?
The InChIKey is SUKGNDYDBRPDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O.ClH/c1-18(2)12-21(10-9-17(18)20)11-13-7-8-16(22-13)14-5-3-4-6-15(14)19;/h3-8,17H,9-12,20H2,1-2H3;1H.
What are the key properties of 1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride?
1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride has a molecular weight of 338.85 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 120781934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).