1-[(2-ethyl-6-fluorophenyl)methyl]piperidin-4-amine

C14H21FN2 — CID 120834571

IUPAC1-[(2-ethyl-6-fluorophenyl)methyl]piperidin-4-amine
SMILESCCc1cccc(F)c1CN1CCC(N)CC1
InChIInChI=1S/C14H21FN2/c1-2-11-4-3-5-14(15)13(11)10-17-8-6-12(16)7-9-17/h3-5,12H,2,6-10,16H2,1H3
InChIKeyXRCRNIQZIHWVIK-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.31
Rot. Bonds3

About 1-[(2-ethyl-6-fluorophenyl)methyl]piperidin-4-amine

1-[(2-ethyl-6-fluorophenyl)methyl]piperidin-4-amine (PubChem CID 120834571) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 1-[(2-ethyl-6-fluorophenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[(2-ethyl-6-fluorophenyl)methyl]piperidin-4-amine
PubChem CID120834571
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name1-[(2-ethyl-6-fluorophenyl)methyl]piperidin-4-amine
SMILESCCc1cccc(F)c1CN1CCC(N)CC1
InChIInChI=1S/C14H21FN2/c1-2-11-4-3-5-14(15)13(11)10-17-8-6-12(16)7-9-17/h3-5,12H,2,6-10,16H2,1H3
InChIKeyXRCRNIQZIHWVIK-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

(3S)-1-[(2-ethyl-6-fluorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120836422
1-[1-[(2-ethyl-6-fluorophenyl)methyl]piperidin-4-yl]ethanamine
CID 120838232
1-[(3-fluoro-2-methylphenyl)methyl]piperidin-4-amine
CID 11368047
1-[1-[(2-ethyl-6-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 120838596
1-[(3-fluoro-2-methoxyphenyl)methyl]piperidin-4-amine
CID 167713391
1-[(4-ethyl-3-fluorophenyl)methyl]piperidin-4-amine
CID 147437638
(3S)-1-[(2-ethyl-6-fluorophenyl)methyl]-3-methylpiperazine
CID 120845888
(3R)-1-[(2-ethyl-6-fluorophenyl)methyl]-3-methylpiperazine;hydrochloride
CID 120845639
ethyl 1-[(2,6-difluorophenyl)methyl]piperidine-4-carboxylate
CID 115879637
1-[(2,3,4,5,6-pentafluorophenyl)methyl]piperidin-4-amine
CID 43556413
[1-[(2,6-difluorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 62069119
1-[(2,3-dichloro-4-fluorophenyl)methyl]piperidin-4-amine
CID 120834490

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethyl-6-fluorophenyl)methyl]piperidin-4-amine?
The IUPAC name of 1-[(2-ethyl-6-fluorophenyl)methyl]piperidin-4-amine (CID 120834571) is 1-[(2-ethyl-6-fluorophenyl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-[(2-ethyl-6-fluorophenyl)methyl]piperidin-4-amine?
The canonical SMILES for 1-[(2-ethyl-6-fluorophenyl)methyl]piperidin-4-amine is CCc1cccc(F)c1CN1CCC(N)CC1.
What is the InChIKey of 1-[(2-ethyl-6-fluorophenyl)methyl]piperidin-4-amine?
The InChIKey is XRCRNIQZIHWVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-2-11-4-3-5-14(15)13(11)10-17-8-6-12(16)7-9-17/h3-5,12H,2,6-10,16H2,1H3.
What are the key properties of 1-[(2-ethyl-6-fluorophenyl)methyl]piperidin-4-amine?
1-[(2-ethyl-6-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-[(2-ethyl-6-fluorophenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 120834571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).