(4-fluorophenyl)methanamine;N-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-amine;methane;1-methylpiperidin-4-one

C27H42F2N4O — CID 157179730

IUPAC(4-fluorophenyl)methanamine;N-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-amine;methane;1-methylpiperidin-4-one
SMILESC.CN1CCC(=O)CC1.CN1CCC(NCc2ccc(F)cc2)CC1.NCc1ccc(F)cc1
InChIInChI=1S/C13H19FN2.C7H8FN.C6H11NO.CH4/c1-16-8-6-13(7-9-16)15-10-11-2-4-12(14)5-3-11;8-7-3-1-6(5-9)2-4-7;1-7-4-2-6(8)3-5-7;/h2-5,13,15H,6-10H2,1H3;1-4H,5,9H2;2-5H2,1H3;1H4
InChIKeyAOKVJQULLDKKOJ-UHFFFAOYSA-N
MW476.66 g/mol
LogP4.21
Rot. Bonds4

About (4-fluorophenyl)methanamine;N-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-amine;methane;1-methylpiperidin-4-one

(4-fluorophenyl)methanamine;N-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-amine;methane;1-methylpiperidin-4-one (PubChem CID 157179730) has the molecular formula C27H42F2N4O and a molecular weight of 476.66 g/mol. Its IUPAC name is (4-fluorophenyl)methanamine;N-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-amine;methane;1-methylpiperidin-4-one.

Molecular Properties

Compound Name(4-fluorophenyl)methanamine;N-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-amine;methane;1-methylpiperidin-4-one
PubChem CID157179730
Molecular FormulaC27H42F2N4O
Molecular Weight476.66 g/mol
Exact Mass476.33
IUPAC Name(4-fluorophenyl)methanamine;N-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-amine;methane;1-methylpiperidin-4-one
SMILESC.CN1CCC(=O)CC1.CN1CCC(NCc2ccc(F)cc2)CC1.NCc1ccc(F)cc1
InChIInChI=1S/C13H19FN2.C7H8FN.C6H11NO.CH4/c1-16-8-6-13(7-9-16)15-10-11-2-4-12(14)5-3-11;8-7-3-1-6(5-9)2-4-7;1-7-4-2-6(8)3-5-7;/h2-5,13,15H,6-10H2,1H3;1-4H,5,9H2;2-5H2,1H3;1H4
InChIKeyAOKVJQULLDKKOJ-UHFFFAOYSA-N
XLogP4.21
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.66
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-1-methylpiperidin-4-amine;(4-fluorophenyl)methanamine;N-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-imine;1-methylpiperidin-4-one
CID 164955292
N-[[4-(aminomethyl)phenyl]methyl]-1-methylpiperidin-4-amine
CID 115213157
N-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-amine;dihydrochloride
CID 126650805
N-benzyl-1-methylpiperidin-4-amine
CID 1114650
N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-methylpiperidin-4-amine
CID 175567978
CID 160909097
CID 160909097
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-[[4-(4-chlorophenyl)phenyl]methyl]-1-methylpiperidin-4-amine
CID 23614409
N-[[4-(diethylaminomethyl)phenyl]methyl]-1-methylpiperidin-4-amine
CID 28680147
1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine
CID 43216489

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methanamine;N-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-amine;methane;1-methylpiperidin-4-one?
The IUPAC name of (4-fluorophenyl)methanamine;N-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-amine;methane;1-methylpiperidin-4-one (CID 157179730) is (4-fluorophenyl)methanamine;N-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-amine;methane;1-methylpiperidin-4-one.
What is the SMILES notation for (4-fluorophenyl)methanamine;N-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-amine;methane;1-methylpiperidin-4-one?
The canonical SMILES for (4-fluorophenyl)methanamine;N-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-amine;methane;1-methylpiperidin-4-one is C.CN1CCC(=O)CC1.CN1CCC(NCc2ccc(F)cc2)CC1.NCc1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)methanamine;N-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-amine;methane;1-methylpiperidin-4-one?
The InChIKey is AOKVJQULLDKKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2.C7H8FN.C6H11NO.CH4/c1-16-8-6-13(7-9-16)15-10-11-2-4-12(14)5-3-11;8-7-3-1-6(5-9)2-4-7;1-7-4-2-6(8)3-5-7;/h2-5,13,15H,6-10H2,1H3;1-4H,5,9H2;2-5H2,1H3;1H4.
What are the key properties of (4-fluorophenyl)methanamine;N-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-amine;methane;1-methylpiperidin-4-one?
(4-fluorophenyl)methanamine;N-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-amine;methane;1-methylpiperidin-4-one has a molecular weight of 476.66 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methanamine;N-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-amine;methane;1-methylpiperidin-4-one is sourced from PubChem (CID 157179730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).