1-[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-4-yl]-N-methylethanamine

C16H25FN2 — CID 114345610

IUPAC1-[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-4-yl]-N-methylethanamine
SMILESCNC(C)C1CCN(Cc2ccc(F)cc2C)CC1
InChIInChI=1S/C16H25FN2/c1-12-10-16(17)5-4-15(12)11-19-8-6-14(7-9-19)13(2)18-3/h4-5,10,13-14,18H,6-9,11H2,1-3H3
InChIKeyRURQDCBQFALKLA-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.95
Rot. Bonds4

About 1-[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-4-yl]-N-methylethanamine

1-[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-4-yl]-N-methylethanamine (PubChem CID 114345610) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 1-[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-4-yl]-N-methylethanamine
PubChem CID114345610
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name1-[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-4-yl]-N-methylethanamine
SMILESCNC(C)C1CCN(Cc2ccc(F)cc2C)CC1
InChIInChI=1S/C16H25FN2/c1-12-10-16(17)5-4-15(12)11-19-8-6-14(7-9-19)13(2)18-3/h4-5,10,13-14,18H,6-9,11H2,1-3H3
InChIKeyRURQDCBQFALKLA-UHFFFAOYSA-N
XLogP2.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-1-[(4-fluoro-2-methylphenyl)methyl]piperidine
CID 114349079
1-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N-methylethanamine
CID 63854996
4-(1-chloroethyl)-1-[(5-fluoro-2-methylphenyl)methyl]piperidine
CID 106838045
1-[(2-bromo-4-fluorophenyl)methyl]-4-propan-2-ylpiperidine
CID 103501620
[5-fluoro-2-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]methanamine
CID 103494258
N-[1-(1-ethylpiperidin-4-yl)ethyl]-5-fluoro-2-methylaniline
CID 43307958
[1-[(4-fluoro-2-methylphenyl)methyl]pyrrolidin-3-yl]methanamine
CID 62134988
(3R,4S)-1-[(4-fluoro-2-methylphenyl)methyl]pyrrolidine-3,4-diol
CID 103887198
2-[ethyl-[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-4-yl]amino]acetic acid
CID 122043091
[4-fluoro-2-[(4-propan-2-ylazepan-1-yl)methyl]phenyl]methanamine
CID 64763360
(3S)-1-[(4-fluoro-2-methylphenyl)methyl]piperidin-3-amine
CID 24904859
1-[(4-fluoro-2-methylphenyl)methyl]-N-propylpiperidin-3-amine
CID 114345620

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-4-yl]-N-methylethanamine?
The IUPAC name of 1-[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-4-yl]-N-methylethanamine (CID 114345610) is 1-[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-4-yl]-N-methylethanamine.
What is the SMILES notation for 1-[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-4-yl]-N-methylethanamine?
The canonical SMILES for 1-[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-4-yl]-N-methylethanamine is CNC(C)C1CCN(Cc2ccc(F)cc2C)CC1.
What is the InChIKey of 1-[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-4-yl]-N-methylethanamine?
The InChIKey is RURQDCBQFALKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-12-10-16(17)5-4-15(12)11-19-8-6-14(7-9-19)13(2)18-3/h4-5,10,13-14,18H,6-9,11H2,1-3H3.
What are the key properties of 1-[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-4-yl]-N-methylethanamine?
1-[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-4-yl]-N-methylethanamine has a molecular weight of 264.39 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-4-yl]-N-methylethanamine is sourced from PubChem (CID 114345610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).