1-(4-fluoro-3-methylphenyl)-N-methyl-2-piperidin-2-ylethanamine

C15H23FN2 — CID 116951656

IUPAC1-(4-fluoro-3-methylphenyl)-N-methyl-2-piperidin-2-ylethanamine
SMILESCNC(CC1CCCCN1)c1ccc(F)c(C)c1
InChIInChI=1S/C15H23FN2/c1-11-9-12(6-7-14(11)16)15(17-2)10-13-5-3-4-8-18-13/h6-7,9,13,15,17-18H,3-5,8,10H2,1-2H3
InChIKeyPZUNKMAZXAIUKH-UHFFFAOYSA-N
MW250.36 g/mol
LogP2.93
Rot. Bonds4

About 1-(4-fluoro-3-methylphenyl)-N-methyl-2-piperidin-2-ylethanamine

1-(4-fluoro-3-methylphenyl)-N-methyl-2-piperidin-2-ylethanamine (PubChem CID 116951656) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-N-methyl-2-piperidin-2-ylethanamine.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-N-methyl-2-piperidin-2-ylethanamine
PubChem CID116951656
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name1-(4-fluoro-3-methylphenyl)-N-methyl-2-piperidin-2-ylethanamine
SMILESCNC(CC1CCCCN1)c1ccc(F)c(C)c1
InChIInChI=1S/C15H23FN2/c1-11-9-12(6-7-14(11)16)15(17-2)10-13-5-3-4-8-18-13/h6-7,9,13,15,17-18H,3-5,8,10H2,1-2H3
InChIKeyPZUNKMAZXAIUKH-UHFFFAOYSA-N
XLogP2.93
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-N-methyl-2-piperidin-2-ylethanamine
CID 116951653
2-cyclopentyl-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
CID 62601380
N-methyl-2-piperidin-2-yl-1-(4-propan-2-ylphenyl)ethanamine
CID 116951649
N-methyl-1-(4-methylsulfanylphenyl)-2-pyrrolidin-2-ylethanamine
CID 116951487
1-(3-ethyl-4-methoxyphenyl)-N-methyl-2-pyrrolidin-2-ylethanamine
CID 116951467
1-(3,4-difluorophenyl)-N,N-dimethyl-2-piperidin-2-ylethanamine
CID 116906794
N-methyl-1-pyridin-4-yl-2-pyrrolidin-2-ylethanamine
CID 116951509
1-(4-fluoro-3-methylphenyl)-N-methylpropan-1-amine
CID 60929376
2-(2-bicyclo[2.2.1]heptanyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
CID 79559314
N-[1-(3,4-difluorophenyl)ethyl]-1-piperidin-2-ylpropan-2-amine
CID 79548685
(4-fluoro-3-methylphenyl)-piperidin-2-ylmethanamine
CID 116935640
N-methyl-1-pyridin-3-yl-2-pyrrolidin-2-ylethanamine
CID 116951508

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-N-methyl-2-piperidin-2-ylethanamine?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-N-methyl-2-piperidin-2-ylethanamine (CID 116951656) is 1-(4-fluoro-3-methylphenyl)-N-methyl-2-piperidin-2-ylethanamine.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-N-methyl-2-piperidin-2-ylethanamine?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-N-methyl-2-piperidin-2-ylethanamine is CNC(CC1CCCCN1)c1ccc(F)c(C)c1.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-N-methyl-2-piperidin-2-ylethanamine?
The InChIKey is PZUNKMAZXAIUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-11-9-12(6-7-14(11)16)15(17-2)10-13-5-3-4-8-18-13/h6-7,9,13,15,17-18H,3-5,8,10H2,1-2H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)-N-methyl-2-piperidin-2-ylethanamine?
1-(4-fluoro-3-methylphenyl)-N-methyl-2-piperidin-2-ylethanamine has a molecular weight of 250.36 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-N-methyl-2-piperidin-2-ylethanamine is sourced from PubChem (CID 116951656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).