1-(4-ethylpiperidin-2-yl)-N-[(2-fluorophenyl)methyl]-N-methylmethanamine

C16H25FN2 — CID 114430837

IUPAC1-(4-ethylpiperidin-2-yl)-N-[(2-fluorophenyl)methyl]-N-methylmethanamine
SMILESCCC1CCNC(CN(C)Cc2ccccc2F)C1
InChIInChI=1S/C16H25FN2/c1-3-13-8-9-18-15(10-13)12-19(2)11-14-6-4-5-7-16(14)17/h4-7,13,15,18H,3,8-12H2,1-2H3
InChIKeyGIYOWWSRMKEFCK-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.04
Rot. Bonds5

About 1-(4-ethylpiperidin-2-yl)-N-[(2-fluorophenyl)methyl]-N-methylmethanamine

1-(4-ethylpiperidin-2-yl)-N-[(2-fluorophenyl)methyl]-N-methylmethanamine (PubChem CID 114430837) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 1-(4-ethylpiperidin-2-yl)-N-[(2-fluorophenyl)methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-ethylpiperidin-2-yl)-N-[(2-fluorophenyl)methyl]-N-methylmethanamine
PubChem CID114430837
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name1-(4-ethylpiperidin-2-yl)-N-[(2-fluorophenyl)methyl]-N-methylmethanamine
SMILESCCC1CCNC(CN(C)Cc2ccccc2F)C1
InChIInChI=1S/C16H25FN2/c1-3-13-8-9-18-15(10-13)12-19(2)11-14-6-4-5-7-16(14)17/h4-7,13,15,18H,3,8-12H2,1-2H3
InChIKeyGIYOWWSRMKEFCK-UHFFFAOYSA-N
XLogP3.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylpiperidin-2-yl)-N-methyl-N-[(2-methylphenyl)methyl]methanamine
CID 114430836
1-(4-ethylpiperidin-2-yl)-N-(furan-2-ylmethyl)-N-methylmethanamine
CID 114430753
1-(4-ethylpiperidin-2-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 114430985
N-[(4-ethylpiperidin-2-yl)methyl]-N-methyl-2-pyridin-2-ylethanamine
CID 114430704
N-[(2-bromophenyl)methyl]-N-methyl-1-(4-methylpiperidin-2-yl)methanamine
CID 114421302
N-[(4-ethylpiperidin-2-yl)methyl]-N,2,2-trimethylpropan-1-amine
CID 114430998
N-[(4-ethylpiperidin-2-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine
CID 114431236
2-[[(2-fluorophenyl)methyl-methylamino]methyl]-4-propylcyclohexan-1-ol
CID 62610633
1-[[(4-ethylpiperidin-2-yl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105421244
N-[(4-ethylpiperidin-2-yl)methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine
CID 114431138
N-[(3-chloro-2-fluorophenyl)methyl]-N-methyl-1-piperidin-2-ylmethanamine
CID 106622977
1-(azepan-2-yl)-N-methyl-N-[(2-methylphenyl)methyl]methanamine
CID 64569172

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperidin-2-yl)-N-[(2-fluorophenyl)methyl]-N-methylmethanamine?
The IUPAC name of 1-(4-ethylpiperidin-2-yl)-N-[(2-fluorophenyl)methyl]-N-methylmethanamine (CID 114430837) is 1-(4-ethylpiperidin-2-yl)-N-[(2-fluorophenyl)methyl]-N-methylmethanamine.
What is the SMILES notation for 1-(4-ethylpiperidin-2-yl)-N-[(2-fluorophenyl)methyl]-N-methylmethanamine?
The canonical SMILES for 1-(4-ethylpiperidin-2-yl)-N-[(2-fluorophenyl)methyl]-N-methylmethanamine is CCC1CCNC(CN(C)Cc2ccccc2F)C1.
What is the InChIKey of 1-(4-ethylpiperidin-2-yl)-N-[(2-fluorophenyl)methyl]-N-methylmethanamine?
The InChIKey is GIYOWWSRMKEFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-3-13-8-9-18-15(10-13)12-19(2)11-14-6-4-5-7-16(14)17/h4-7,13,15,18H,3,8-12H2,1-2H3.
What are the key properties of 1-(4-ethylpiperidin-2-yl)-N-[(2-fluorophenyl)methyl]-N-methylmethanamine?
1-(4-ethylpiperidin-2-yl)-N-[(2-fluorophenyl)methyl]-N-methylmethanamine has a molecular weight of 264.39 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperidin-2-yl)-N-[(2-fluorophenyl)methyl]-N-methylmethanamine is sourced from PubChem (CID 114430837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).