1-[(4-ethyl-3-fluorophenyl)methyl]piperidin-4-amine

C14H21FN2 — CID 147437638

IUPAC1-[(4-ethyl-3-fluorophenyl)methyl]piperidin-4-amine
SMILESCCc1ccc(CN2CCC(N)CC2)cc1F
InChIInChI=1S/C14H21FN2/c1-2-12-4-3-11(9-14(12)15)10-17-7-5-13(16)6-8-17/h3-4,9,13H,2,5-8,10,16H2,1H3
InChIKeyDVPCFOWWMZHQIS-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.31
Rot. Bonds3

About 1-[(4-ethyl-3-fluorophenyl)methyl]piperidin-4-amine

1-[(4-ethyl-3-fluorophenyl)methyl]piperidin-4-amine (PubChem CID 147437638) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 1-[(4-ethyl-3-fluorophenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[(4-ethyl-3-fluorophenyl)methyl]piperidin-4-amine
PubChem CID147437638
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name1-[(4-ethyl-3-fluorophenyl)methyl]piperidin-4-amine
SMILESCCc1ccc(CN2CCC(N)CC2)cc1F
InChIInChI=1S/C14H21FN2/c1-2-12-4-3-11(9-14(12)15)10-17-7-5-13(16)6-8-17/h3-4,9,13H,2,5-8,10,16H2,1H3
InChIKeyDVPCFOWWMZHQIS-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-ethyl-3-fluorophenyl)methyl]piperazine
CID 122519320
1-[(2-ethyl-6-fluorophenyl)methyl]piperidin-4-amine
CID 120834571
(3S)-1-[(4-ethoxy-3-fluorophenyl)methyl]pyrrolidin-3-amine
CID 120836290
[5-[(4-ethylpiperidin-1-yl)methyl]-2-fluorophenyl]methanamine
CID 107878208
1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]ethanamine
CID 55216872
1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-amine
CID 68821598
[2-fluoro-5-[(4-propylpiperidin-1-yl)methyl]phenyl]methanamine
CID 107878369
1-[(4-methylphenyl)methyl]piperidin-4-amine;hydrochloride
CID 17221614
1-[[4-(2,2-dimethylpropyl)-3-fluorophenyl]methyl]piperidine
CID 169075487
2-fluoro-4-[(4-propylpiperidin-1-yl)methyl]phenol
CID 107694032
ethyl 1-[[4-(aminomethyl)-2-fluorophenyl]methyl]piperidine-4-carboxylate
CID 63383296
1-[(2,3-dichloro-4-fluorophenyl)methyl]piperidin-4-amine
CID 120834490

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethyl-3-fluorophenyl)methyl]piperidin-4-amine?
The IUPAC name of 1-[(4-ethyl-3-fluorophenyl)methyl]piperidin-4-amine (CID 147437638) is 1-[(4-ethyl-3-fluorophenyl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-[(4-ethyl-3-fluorophenyl)methyl]piperidin-4-amine?
The canonical SMILES for 1-[(4-ethyl-3-fluorophenyl)methyl]piperidin-4-amine is CCc1ccc(CN2CCC(N)CC2)cc1F.
What is the InChIKey of 1-[(4-ethyl-3-fluorophenyl)methyl]piperidin-4-amine?
The InChIKey is DVPCFOWWMZHQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-2-12-4-3-11(9-14(12)15)10-17-7-5-13(16)6-8-17/h3-4,9,13H,2,5-8,10,16H2,1H3.
What are the key properties of 1-[(4-ethyl-3-fluorophenyl)methyl]piperidin-4-amine?
1-[(4-ethyl-3-fluorophenyl)methyl]piperidin-4-amine has a molecular weight of 236.33 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethyl-3-fluorophenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 147437638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).