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

C16H23FN2 — CID 62136121

IUPAC1-cyclopropyl-N-[(4-fluoro-2-methylphenyl)methyl]piperidin-4-amine
SMILESCc1cc(F)ccc1CNC1CCN(C2CC2)CC1
InChIInChI=1S/C16H23FN2/c1-12-10-14(17)3-2-13(12)11-18-15-6-8-19(9-7-15)16-4-5-16/h2-3,10,15-16,18H,4-9,11H2,1H3
InChIKeyINEHUSQRUMVJIG-UHFFFAOYSA-N
MW262.37 g/mol
LogP2.85
Rot. Bonds4

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

1-cyclopropyl-N-[(4-fluoro-2-methylphenyl)methyl]piperidin-4-amine (PubChem CID 62136121) has the molecular formula C16H23FN2 and a molecular weight of 262.37 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(4-fluoro-2-methylphenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-[(4-fluoro-2-methylphenyl)methyl]piperidin-4-amine
PubChem CID62136121
Molecular FormulaC16H23FN2
Molecular Weight262.37 g/mol
Exact Mass262.18
IUPAC Name1-cyclopropyl-N-[(4-fluoro-2-methylphenyl)methyl]piperidin-4-amine
SMILESCc1cc(F)ccc1CNC1CCN(C2CC2)CC1
InChIInChI=1S/C16H23FN2/c1-12-10-14(17)3-2-13(12)11-18-15-6-8-19(9-7-15)16-4-5-16/h2-3,10,15-16,18H,4-9,11H2,1H3
InChIKeyINEHUSQRUMVJIG-UHFFFAOYSA-N
XLogP2.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluoro-2-methylphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 78916571
N-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methylprop-2-enyl)piperidin-4-amine
CID 119124259
1-cyclopropyl-N-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 43234139
N-[(4-fluoro-2-methylphenyl)methyl]-1,1-dioxothiolan-3-amine
CID 62125242
1-ethyl-N-[(5-fluoro-2-methylphenyl)methyl]piperidin-4-amine
CID 103943629
N-[(4-fluoro-2-methylphenyl)methyl]-3-methoxycyclobutan-1-amine
CID 104587914
1-[4-[(5-fluoro-2-methylphenyl)methylamino]piperidin-1-yl]ethanone
CID 103943635
N-[(3-chloro-4-fluorophenyl)methyl]-1-cyclopropylpiperidin-4-amine
CID 81144619
N-[(2,4-difluorophenyl)methyl]-1-propan-2-ylpiperidin-4-amine
CID 28716417
1-N-cyclopropyl-2-N-[(4-fluoro-2-methylphenyl)methyl]propane-1,2-diamine
CID 113407488
N-[(2-cyclopropyl-4-fluorophenyl)methyl]-1-methylpiperidin-4-amine
CID 146882665
2-chloro-N-[(4-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine
CID 114349118

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(4-fluoro-2-methylphenyl)methyl]piperidin-4-amine?
The IUPAC name of 1-cyclopropyl-N-[(4-fluoro-2-methylphenyl)methyl]piperidin-4-amine (CID 62136121) is 1-cyclopropyl-N-[(4-fluoro-2-methylphenyl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-cyclopropyl-N-[(4-fluoro-2-methylphenyl)methyl]piperidin-4-amine?
The canonical SMILES for 1-cyclopropyl-N-[(4-fluoro-2-methylphenyl)methyl]piperidin-4-amine is Cc1cc(F)ccc1CNC1CCN(C2CC2)CC1.
What is the InChIKey of 1-cyclopropyl-N-[(4-fluoro-2-methylphenyl)methyl]piperidin-4-amine?
The InChIKey is INEHUSQRUMVJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2/c1-12-10-14(17)3-2-13(12)11-18-15-6-8-19(9-7-15)16-4-5-16/h2-3,10,15-16,18H,4-9,11H2,1H3.
What are the key properties of 1-cyclopropyl-N-[(4-fluoro-2-methylphenyl)methyl]piperidin-4-amine?
1-cyclopropyl-N-[(4-fluoro-2-methylphenyl)methyl]piperidin-4-amine has a molecular weight of 262.37 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(4-fluoro-2-methylphenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 62136121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).