1-[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]-N-methylmethanamine

C15H23FN2 — CID 63249454

IUPAC1-[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]-N-methylmethanamine
SMILESCNCC1CCCCN1Cc1ccc(F)cc1C
InChIInChI=1S/C15H23FN2/c1-12-9-14(16)7-6-13(12)11-18-8-4-3-5-15(18)10-17-2/h6-7,9,15,17H,3-5,8,10-11H2,1-2H3
InChIKeyXSLFOULKEQNWAF-UHFFFAOYSA-N
MW250.36 g/mol
LogP2.71
Rot. Bonds4

About 1-[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]-N-methylmethanamine

1-[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]-N-methylmethanamine (PubChem CID 63249454) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 1-[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]-N-methylmethanamine
PubChem CID63249454
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name1-[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]-N-methylmethanamine
SMILESCNCC1CCCCN1Cc1ccc(F)cc1C
InChIInChI=1S/C15H23FN2/c1-12-9-14(16)7-6-13(12)11-18-8-4-3-5-15(18)10-17-2/h6-7,9,15,17H,3-5,8,10-11H2,1-2H3
InChIKeyXSLFOULKEQNWAF-UHFFFAOYSA-N
XLogP2.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[(4-fluoro-2-methylphenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 115316184
N-[[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]methyl]propan-2-amine
CID 114346179
N-[[1-[(4-fluoro-2-methylphenyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine
CID 114346171
1-[1-[(4-fluoro-3-methylphenyl)methyl]piperidin-2-yl]-N-methylmethanamine
CID 55168540
N-[[1-[(5-fluoro-2-methylphenyl)methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine
CID 105371975
4-methyl-2-[[2-(methylaminomethyl)piperidin-1-yl]methyl]phenol
CID 63325311
N-methyl-1-[1-[(3,4,5-trifluorophenyl)methyl]piperidin-2-yl]methanamine
CID 55168734
N-[[1-[(2,4-difluorophenyl)methyl]piperidin-2-yl]methyl]propan-1-amine
CID 62582020
2-[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]cyclopentan-1-ol
CID 114350545
1-[1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]-N-methylmethanamine
CID 65318364
N-[[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-2-yl]methyl]propan-1-amine
CID 62582200
1-[1-[(2,3-dimethylphenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 113285201

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]-N-methylmethanamine (CID 63249454) is 1-[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]-N-methylmethanamine is CNCC1CCCCN1Cc1ccc(F)cc1C.
What is the InChIKey of 1-[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]-N-methylmethanamine?
The InChIKey is XSLFOULKEQNWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-12-9-14(16)7-6-13(12)11-18-8-4-3-5-15(18)10-17-2/h6-7,9,15,17H,3-5,8,10-11H2,1-2H3.
What are the key properties of 1-[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]-N-methylmethanamine?
1-[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]-N-methylmethanamine has a molecular weight of 250.36 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 63249454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).