[4-(fluoromethyl)-1-(3-methylphenyl)piperidin-4-yl]methanamine

C14H21FN2 — CID 115041666

IUPAC[4-(fluoromethyl)-1-(3-methylphenyl)piperidin-4-yl]methanamine
SMILESCc1cccc(N2CCC(CN)(CF)CC2)c1
InChIInChI=1S/C14H21FN2/c1-12-3-2-4-13(9-12)17-7-5-14(10-15,11-16)6-8-17/h2-4,9H,5-8,10-11,16H2,1H3
InChIKeyWZDGTMCUQUQHGG-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.51
Rot. Bonds3

About [4-(fluoromethyl)-1-(3-methylphenyl)piperidin-4-yl]methanamine

[4-(fluoromethyl)-1-(3-methylphenyl)piperidin-4-yl]methanamine (PubChem CID 115041666) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is [4-(fluoromethyl)-1-(3-methylphenyl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[4-(fluoromethyl)-1-(3-methylphenyl)piperidin-4-yl]methanamine
PubChem CID115041666
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name[4-(fluoromethyl)-1-(3-methylphenyl)piperidin-4-yl]methanamine
SMILESCc1cccc(N2CCC(CN)(CF)CC2)c1
InChIInChI=1S/C14H21FN2/c1-12-3-2-4-13(9-12)17-7-5-14(10-15,11-16)6-8-17/h2-4,9H,5-8,10-11,16H2,1H3
InChIKeyWZDGTMCUQUQHGG-UHFFFAOYSA-N
XLogP2.51
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-1-(3-methylphenyl)piperidin-4-ol
CID 82286378
ethane;4-methyl-1-(3-methylphenyl)piperidin-4-ol
CID 145068457
[1-methyl-3-[4-(3-methylphenyl)piperazin-1-yl]pyrrolidin-3-yl]methanamine
CID 62975821
1-(3-methylphenyl)piperidine;propane
CID 143942273
2-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]propan-1-amine
CID 24695476
4-(difluoromethyl)-1-(3-methylphenyl)piperidine-4-carboxylic acid
CID 115050174
1-methyl-4-(3-methylphenyl)-1,4-diazepane
CID 118420862
1-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]cyclobutan-1-amine
CID 79844062
2-amino-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119837589
1-(3-methylphenyl)-4-propylpiperazine
CID 44570658
3-[4-(2-fluoroethyl)piperazin-1-yl]aniline
CID 80694905
[3-[[4-(3-methylphenyl)piperazin-1-yl]methyl]phenyl]methanamine
CID 18070769

Frequently Asked Questions

What is the IUPAC name of [4-(fluoromethyl)-1-(3-methylphenyl)piperidin-4-yl]methanamine?
The IUPAC name of [4-(fluoromethyl)-1-(3-methylphenyl)piperidin-4-yl]methanamine (CID 115041666) is [4-(fluoromethyl)-1-(3-methylphenyl)piperidin-4-yl]methanamine.
What is the SMILES notation for [4-(fluoromethyl)-1-(3-methylphenyl)piperidin-4-yl]methanamine?
The canonical SMILES for [4-(fluoromethyl)-1-(3-methylphenyl)piperidin-4-yl]methanamine is Cc1cccc(N2CCC(CN)(CF)CC2)c1.
What is the InChIKey of [4-(fluoromethyl)-1-(3-methylphenyl)piperidin-4-yl]methanamine?
The InChIKey is WZDGTMCUQUQHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-12-3-2-4-13(9-12)17-7-5-14(10-15,11-16)6-8-17/h2-4,9H,5-8,10-11,16H2,1H3.
What are the key properties of [4-(fluoromethyl)-1-(3-methylphenyl)piperidin-4-yl]methanamine?
[4-(fluoromethyl)-1-(3-methylphenyl)piperidin-4-yl]methanamine has a molecular weight of 236.33 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(fluoromethyl)-1-(3-methylphenyl)piperidin-4-yl]methanamine is sourced from PubChem (CID 115041666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).