N-[(2-fluoro-5-methylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride

C15H24ClFN2 — CID 120850156

IUPACN-[(2-fluoro-5-methylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
SMILESCc1ccc(F)c(CN(C)CC2CCCNC2)c1.Cl
InChIInChI=1S/C15H23FN2.ClH/c1-12-5-6-15(16)14(8-12)11-18(2)10-13-4-3-7-17-9-13;/h5-6,8,13,17H,3-4,7,9-11H2,1-2H3;1H
InChIKeyOYLSORASVKQRST-UHFFFAOYSA-N
MW286.82 g/mol
LogP2.99
Rot. Bonds4

About N-[(2-fluoro-5-methylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride

N-[(2-fluoro-5-methylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride (PubChem CID 120850156) has the molecular formula C15H24ClFN2 and a molecular weight of 286.82 g/mol. Its IUPAC name is N-[(2-fluoro-5-methylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(2-fluoro-5-methylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
PubChem CID120850156
Molecular FormulaC15H24ClFN2
Molecular Weight286.82 g/mol
Exact Mass286.16
IUPAC NameN-[(2-fluoro-5-methylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
SMILESCc1ccc(F)c(CN(C)CC2CCCNC2)c1.Cl
InChIInChI=1S/C15H23FN2.ClH/c1-12-5-6-15(16)14(8-12)11-18(2)10-13-4-3-7-17-9-13;/h5-6,8,13,17H,3-4,7,9-11H2,1-2H3;1H
InChIKeyOYLSORASVKQRST-UHFFFAOYSA-N
XLogP2.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.82
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-chloro-2-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 120851649
N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 103815655
N-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 106623709
N-[(3,5-dimethylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 106623795
N-[(4-bromo-2-methylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 120849544
2-fluoro-N,5-dimethyl-N-(piperidin-3-ylmethyl)benzamide
CID 106628063
N-[(3-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 119929453
2-fluoro-4-[[methyl(piperidin-3-ylmethyl)amino]methyl]phenol
CID 107692165
N-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 104870292
1-(azetidin-3-yl)-N-[(5-chloro-2-fluorophenyl)methyl]-N-methylmethanamine
CID 115207693
N-[(5-chloro-2-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624365
N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-piperidin-3-ylethanamine
CID 115211401

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-5-methylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride?
The IUPAC name of N-[(2-fluoro-5-methylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride (CID 120850156) is N-[(2-fluoro-5-methylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride.
What is the SMILES notation for N-[(2-fluoro-5-methylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride?
The canonical SMILES for N-[(2-fluoro-5-methylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride is Cc1ccc(F)c(CN(C)CC2CCCNC2)c1.Cl.
What is the InChIKey of N-[(2-fluoro-5-methylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride?
The InChIKey is OYLSORASVKQRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2.ClH/c1-12-5-6-15(16)14(8-12)11-18(2)10-13-4-3-7-17-9-13;/h5-6,8,13,17H,3-4,7,9-11H2,1-2H3;1H.
What are the key properties of N-[(2-fluoro-5-methylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride?
N-[(2-fluoro-5-methylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride has a molecular weight of 286.82 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-5-methylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride is sourced from PubChem (CID 120850156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).