[1-(4-fluorophenyl)-3,3-dimethylpiperidin-4-yl]methanamine

C14H21FN2 — CID 117024877

IUPAC[1-(4-fluorophenyl)-3,3-dimethylpiperidin-4-yl]methanamine
SMILESCC1(C)CN(c2ccc(F)cc2)CCC1CN
InChIInChI=1S/C14H21FN2/c1-14(2)10-17(8-7-11(14)9-16)13-5-3-12(15)4-6-13/h3-6,11H,7-10,16H2,1-2H3
InChIKeyUJORKSQWQJFJKI-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.64
Rot. Bonds2

About [1-(4-fluorophenyl)-3,3-dimethylpiperidin-4-yl]methanamine

[1-(4-fluorophenyl)-3,3-dimethylpiperidin-4-yl]methanamine (PubChem CID 117024877) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-3,3-dimethylpiperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-3,3-dimethylpiperidin-4-yl]methanamine
PubChem CID117024877
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name[1-(4-fluorophenyl)-3,3-dimethylpiperidin-4-yl]methanamine
SMILESCC1(C)CN(c2ccc(F)cc2)CCC1CN
InChIInChI=1S/C14H21FN2/c1-14(2)10-17(8-7-11(14)9-16)13-5-3-12(15)4-6-13/h3-6,11H,7-10,16H2,1-2H3
InChIKeyUJORKSQWQJFJKI-UHFFFAOYSA-N
XLogP2.64
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(aminomethyl)-3,3-dimethylpiperidin-1-yl]benzonitrile
CID 117024904
[1-(4-ethoxyphenyl)-3,3-dimethylpiperidin-4-yl]methanamine
CID 117024891
[1-(2-fluorophenyl)-3,3-dimethylpiperidin-4-yl]methanamine
CID 117024876
2-[1-(3-fluorophenyl)-3,3-dimethylpiperidin-4-yl]ethanamine
CID 117024822
[1-(2-chlorophenyl)-3,3-dimethylpiperidin-4-yl]methanamine
CID 117024878
[1-(4-bromophenyl)-3,3-dimethylpiperidin-4-yl]methanol
CID 117024959
1-(4-methoxyphenyl)-3,3-dimethylpiperidin-4-amine
CID 117024391
3-cyclopropyl-1-(4-fluorophenyl)-3-methyl-1,4-diazepane
CID 64945068
1-(4-fluorophenyl)piperidin-4-amine;hydrochloride
CID 53442031
3,3-dimethyl-1-(4-methylphenyl)piperidin-4-ol
CID 117024204
1-(4-fluorophenyl)-4,6-dimethyl-1,5-diazocane
CID 54973091
[1-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylcyclopentyl]methanamine
CID 65045661

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)-3,3-dimethylpiperidin-4-yl]methanamine?
The IUPAC name of [1-(4-fluorophenyl)-3,3-dimethylpiperidin-4-yl]methanamine (CID 117024877) is [1-(4-fluorophenyl)-3,3-dimethylpiperidin-4-yl]methanamine.
What is the SMILES notation for [1-(4-fluorophenyl)-3,3-dimethylpiperidin-4-yl]methanamine?
The canonical SMILES for [1-(4-fluorophenyl)-3,3-dimethylpiperidin-4-yl]methanamine is CC1(C)CN(c2ccc(F)cc2)CCC1CN.
What is the InChIKey of [1-(4-fluorophenyl)-3,3-dimethylpiperidin-4-yl]methanamine?
The InChIKey is UJORKSQWQJFJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-14(2)10-17(8-7-11(14)9-16)13-5-3-12(15)4-6-13/h3-6,11H,7-10,16H2,1-2H3.
What are the key properties of [1-(4-fluorophenyl)-3,3-dimethylpiperidin-4-yl]methanamine?
[1-(4-fluorophenyl)-3,3-dimethylpiperidin-4-yl]methanamine has a molecular weight of 236.33 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-3,3-dimethylpiperidin-4-yl]methanamine is sourced from PubChem (CID 117024877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).