N-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methylprop-2-enyl)piperidin-4-amine

C17H25FN2 — CID 119124259

IUPACN-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methylprop-2-enyl)piperidin-4-amine
SMILESC=C(C)CN1CCC(NCc2ccc(F)cc2C)CC1
InChIInChI=1S/C17H25FN2/c1-13(2)12-20-8-6-17(7-9-20)19-11-15-4-5-16(18)10-14(15)3/h4-5,10,17,19H,1,6-9,11-12H2,2-3H3
InChIKeySIGPWVAJEJHMEJ-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.26
Rot. Bonds5

About N-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methylprop-2-enyl)piperidin-4-amine

N-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methylprop-2-enyl)piperidin-4-amine (PubChem CID 119124259) has the molecular formula C17H25FN2 and a molecular weight of 276.40 g/mol. Its IUPAC name is N-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methylprop-2-enyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methylprop-2-enyl)piperidin-4-amine
PubChem CID119124259
Molecular FormulaC17H25FN2
Molecular Weight276.40 g/mol
Exact Mass276.20
IUPAC NameN-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methylprop-2-enyl)piperidin-4-amine
SMILESC=C(C)CN1CCC(NCc2ccc(F)cc2C)CC1
InChIInChI=1S/C17H25FN2/c1-13(2)12-20-8-6-17(7-9-20)19-11-15-4-5-16(18)10-14(15)3/h4-5,10,17,19H,1,6-9,11-12H2,2-3H3
InChIKeySIGPWVAJEJHMEJ-UHFFFAOYSA-N
XLogP3.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-cyclopropyl-N-[(4-fluoro-2-methylphenyl)methyl]piperidin-4-amine
CID 62136121
1-ethyl-N-[(5-fluoro-2-methylphenyl)methyl]piperidin-4-amine
CID 103943629
N-benzyl-1-(2-methylprop-2-enyl)piperidin-4-amine
CID 119124375
1-[4-[(5-fluoro-2-methylphenyl)methylamino]piperidin-1-yl]ethanone
CID 103943635
2-[4-[(5-fluoro-2-hydroxyphenyl)methylamino]piperidin-1-yl]acetamide
CID 103948078
N-[(4-fluoro-2-methylphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 78916571
4-chloro-1-[(4-fluoro-2-methylphenyl)methyl]piperidine
CID 114349079
1-(2-methylprop-2-enyl)-N-[(2-nitrophenyl)methyl]piperidin-4-amine
CID 119124367
N-[(4-fluoro-2-methylphenyl)methyl]-1,1-dioxothiolan-3-amine
CID 62125242
1-[4-[(2,5-difluorophenyl)methylamino]piperidin-1-yl]ethanone
CID 43745932
N-[(4-fluoro-2-methylphenyl)methyl]-3-methoxycyclobutan-1-amine
CID 104587914
2-[4-[(4-chloro-2-fluorophenyl)methylamino]piperidin-1-yl]acetamide
CID 114841998

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methylprop-2-enyl)piperidin-4-amine?
The IUPAC name of N-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methylprop-2-enyl)piperidin-4-amine (CID 119124259) is N-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methylprop-2-enyl)piperidin-4-amine.
What is the SMILES notation for N-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methylprop-2-enyl)piperidin-4-amine?
The canonical SMILES for N-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methylprop-2-enyl)piperidin-4-amine is C=C(C)CN1CCC(NCc2ccc(F)cc2C)CC1.
What is the InChIKey of N-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methylprop-2-enyl)piperidin-4-amine?
The InChIKey is SIGPWVAJEJHMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2/c1-13(2)12-20-8-6-17(7-9-20)19-11-15-4-5-16(18)10-14(15)3/h4-5,10,17,19H,1,6-9,11-12H2,2-3H3.
What are the key properties of N-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methylprop-2-enyl)piperidin-4-amine?
N-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methylprop-2-enyl)piperidin-4-amine has a molecular weight of 276.40 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methylprop-2-enyl)piperidin-4-amine is sourced from PubChem (CID 119124259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).