N-[(2-ethyl-6-fluorophenyl)methyl]-N-methylpiperidin-4-amine

C15H23FN2 — CID 120835424

IUPACN-[(2-ethyl-6-fluorophenyl)methyl]-N-methylpiperidin-4-amine
SMILESCCc1cccc(F)c1CN(C)C1CCNCC1
InChIInChI=1S/C15H23FN2/c1-3-12-5-4-6-15(16)14(12)11-18(2)13-7-9-17-10-8-13/h4-6,13,17H,3,7-11H2,1-2H3
InChIKeyRBTAIEDWTNISQF-UHFFFAOYSA-N
MW250.36 g/mol
LogP2.57
Rot. Bonds4

About N-[(2-ethyl-6-fluorophenyl)methyl]-N-methylpiperidin-4-amine

N-[(2-ethyl-6-fluorophenyl)methyl]-N-methylpiperidin-4-amine (PubChem CID 120835424) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is N-[(2-ethyl-6-fluorophenyl)methyl]-N-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(2-ethyl-6-fluorophenyl)methyl]-N-methylpiperidin-4-amine
PubChem CID120835424
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC NameN-[(2-ethyl-6-fluorophenyl)methyl]-N-methylpiperidin-4-amine
SMILESCCc1cccc(F)c1CN(C)C1CCNCC1
InChIInChI=1S/C15H23FN2/c1-3-12-5-4-6-15(16)14(12)11-18(2)13-7-9-17-10-8-13/h4-6,13,17H,3,7-11H2,1-2H3
InChIKeyRBTAIEDWTNISQF-UHFFFAOYSA-N
XLogP2.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,6-difluorophenyl)methyl]-N-ethylpiperidin-4-amine
CID 114930841
N-[(2,6-difluorophenyl)methyl]-N-methylpiperidin-3-amine
CID 55248730
2-[(2-ethyl-6-fluorophenyl)methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
CID 120835994
N-[(2-chloro-6-fluorophenyl)methyl]-N-ethylpiperidin-4-amine
CID 60806803
2-(2-chloro-6-fluorophenyl)-N-methyl-N-piperidin-4-ylacetamide
CID 43602048
N-[(2-bromophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119912776
N-(azepan-4-yl)-2-(2-chloro-6-fluorophenyl)-N-methylacetamide
CID 104974489
N-methyl-N-[(2,4,6-trimethylphenyl)methyl]piperidin-4-amine
CID 55085534
3-(2,3-difluorophenyl)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride
CID 119441407
2-fluoro-N,N-dimethyl-6-(piperidin-4-ylmethyl)aniline
CID 117117895
N-[(5-chloro-2-fluorophenyl)methyl]-N-methylazepan-4-amine
CID 104974374
4-[(2-chloro-6-fluorophenyl)methyl-methylamino]cyclohexan-1-one
CID 79119937

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-6-fluorophenyl)methyl]-N-methylpiperidin-4-amine?
The IUPAC name of N-[(2-ethyl-6-fluorophenyl)methyl]-N-methylpiperidin-4-amine (CID 120835424) is N-[(2-ethyl-6-fluorophenyl)methyl]-N-methylpiperidin-4-amine.
What is the SMILES notation for N-[(2-ethyl-6-fluorophenyl)methyl]-N-methylpiperidin-4-amine?
The canonical SMILES for N-[(2-ethyl-6-fluorophenyl)methyl]-N-methylpiperidin-4-amine is CCc1cccc(F)c1CN(C)C1CCNCC1.
What is the InChIKey of N-[(2-ethyl-6-fluorophenyl)methyl]-N-methylpiperidin-4-amine?
The InChIKey is RBTAIEDWTNISQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-3-12-5-4-6-15(16)14(12)11-18(2)13-7-9-17-10-8-13/h4-6,13,17H,3,7-11H2,1-2H3.
What are the key properties of N-[(2-ethyl-6-fluorophenyl)methyl]-N-methylpiperidin-4-amine?
N-[(2-ethyl-6-fluorophenyl)methyl]-N-methylpiperidin-4-amine has a molecular weight of 250.36 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-6-fluorophenyl)methyl]-N-methylpiperidin-4-amine is sourced from PubChem (CID 120835424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).