N,N-bis[(3-fluorophenyl)methyl]-1-[(2R)-piperidin-2-yl]methanamine

C20H24F2N2 — CID 95731958

IUPACN,N-bis[(3-fluorophenyl)methyl]-1-[(2R)-piperidin-2-yl]methanamine
SMILESFc1cccc(CN(Cc2cccc(F)c2)C[C@H]2CCCCN2)c1
InChIInChI=1S/C20H24F2N2/c21-18-7-3-5-16(11-18)13-24(15-20-9-1-2-10-23-20)14-17-6-4-8-19(22)12-17/h3-8,11-12,20,23H,1-2,9-10,13-15H2/t20-/m1/s1
InChIKeySCODIQXEPJBJLM-HXUWFJFHSA-N
MW330.42 g/mol
LogP4.11
Rot. Bonds6

About N,N-bis[(3-fluorophenyl)methyl]-1-[(2R)-piperidin-2-yl]methanamine

N,N-bis[(3-fluorophenyl)methyl]-1-[(2R)-piperidin-2-yl]methanamine (PubChem CID 95731958) has the molecular formula C20H24F2N2 and a molecular weight of 330.42 g/mol. Its IUPAC name is N,N-bis[(3-fluorophenyl)methyl]-1-[(2R)-piperidin-2-yl]methanamine.

Molecular Properties

Compound NameN,N-bis[(3-fluorophenyl)methyl]-1-[(2R)-piperidin-2-yl]methanamine
PubChem CID95731958
Molecular FormulaC20H24F2N2
Molecular Weight330.42 g/mol
Exact Mass330.19
IUPAC NameN,N-bis[(3-fluorophenyl)methyl]-1-[(2R)-piperidin-2-yl]methanamine
SMILESFc1cccc(CN(Cc2cccc(F)c2)C[C@H]2CCCCN2)c1
InChIInChI=1S/C20H24F2N2/c21-18-7-3-5-16(11-18)13-24(15-20-9-1-2-10-23-20)14-17-6-4-8-19(22)12-17/h3-8,11-12,20,23H,1-2,9-10,13-15H2/t20-/m1/s1
InChIKeySCODIQXEPJBJLM-HXUWFJFHSA-N
XLogP4.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-fluorophenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621509
N-[(3-fluorophenyl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605110
2-[(3-fluorophenyl)methyl]azepane
CID 62544707
N-ethyl-2-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)acetamide
CID 106626297
2-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propan-2-ylacetamide
CID 106626682
1-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propylpropan-2-amine
CID 106623292
2-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propylacetamide
CID 106625837
N-benzyl-N-(piperidin-2-ylmethyl)ethanamine;dihydrochloride
CID 56831759
N-[[3-(methoxymethyl)phenyl]methyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106623591
4-[[ethyl(piperidin-2-ylmethyl)amino]methyl]-2-fluorophenol
CID 107692162
N-ethyl-1-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106622443
N-[(2,5-difluorophenyl)methyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106623577

Frequently Asked Questions

What is the IUPAC name of N,N-bis[(3-fluorophenyl)methyl]-1-[(2R)-piperidin-2-yl]methanamine?
The IUPAC name of N,N-bis[(3-fluorophenyl)methyl]-1-[(2R)-piperidin-2-yl]methanamine (CID 95731958) is N,N-bis[(3-fluorophenyl)methyl]-1-[(2R)-piperidin-2-yl]methanamine.
What is the SMILES notation for N,N-bis[(3-fluorophenyl)methyl]-1-[(2R)-piperidin-2-yl]methanamine?
The canonical SMILES for N,N-bis[(3-fluorophenyl)methyl]-1-[(2R)-piperidin-2-yl]methanamine is Fc1cccc(CN(Cc2cccc(F)c2)C[C@H]2CCCCN2)c1.
What is the InChIKey of N,N-bis[(3-fluorophenyl)methyl]-1-[(2R)-piperidin-2-yl]methanamine?
The InChIKey is SCODIQXEPJBJLM-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H24F2N2/c21-18-7-3-5-16(11-18)13-24(15-20-9-1-2-10-23-20)14-17-6-4-8-19(22)12-17/h3-8,11-12,20,23H,1-2,9-10,13-15H2/t20-/m1/s1.
What are the key properties of N,N-bis[(3-fluorophenyl)methyl]-1-[(2R)-piperidin-2-yl]methanamine?
N,N-bis[(3-fluorophenyl)methyl]-1-[(2R)-piperidin-2-yl]methanamine has a molecular weight of 330.42 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[(3-fluorophenyl)methyl]-1-[(2R)-piperidin-2-yl]methanamine is sourced from PubChem (CID 95731958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).