1-[1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]-N-methylethanamine

C15H22F2N2 — CID 63852929

IUPAC1-[1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]-N-methylethanamine
SMILESCNC(C)C1CCCCN1Cc1cc(F)ccc1F
InChIInChI=1S/C15H22F2N2/c1-11(18-2)15-5-3-4-8-19(15)10-12-9-13(16)6-7-14(12)17/h6-7,9,11,15,18H,3-5,8,10H2,1-2H3
InChIKeyIAGDPKONVKMGPV-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.93
Rot. Bonds4

About 1-[1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]-N-methylethanamine

1-[1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]-N-methylethanamine (PubChem CID 63852929) has the molecular formula C15H22F2N2 and a molecular weight of 268.35 g/mol. Its IUPAC name is 1-[1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]-N-methylethanamine
PubChem CID63852929
Molecular FormulaC15H22F2N2
Molecular Weight268.35 g/mol
Exact Mass268.18
IUPAC Name1-[1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]-N-methylethanamine
SMILESCNC(C)C1CCCCN1Cc1cc(F)ccc1F
InChIInChI=1S/C15H22F2N2/c1-11(18-2)15-5-3-4-8-19(15)10-12-9-13(16)6-7-14(12)17/h6-7,9,11,15,18H,3-5,8,10H2,1-2H3
InChIKeyIAGDPKONVKMGPV-UHFFFAOYSA-N
XLogP2.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[(5-bromo-2-fluorophenyl)methyl]piperidin-2-yl]ethanamine
CID 55170113
1-[1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-2-yl]ethanamine
CID 55168778
3-[[2-(1-aminoethyl)piperidin-1-yl]methyl]-4-fluorobenzonitrile
CID 63256041
1-[(2,5-difluorophenyl)methyl]piperidine-2-carboxylic acid
CID 3500116
1-[(2,5-difluorophenyl)methyl]azepane-2-carboxylic acid
CID 64563952
1-[1-[(2,5-difluorophenyl)methyl]azepan-2-yl]propan-2-one
CID 79559683
2-[1-[(2,5-difluorophenyl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339484
N-(3-fluorophenyl)-2-[2-[1-(methylamino)ethyl]piperidin-1-yl]acetamide
CID 63855022
2-butan-2-yl-1-[(2,5-difluorophenyl)methyl]piperazine
CID 64844061
N-[[4-fluoro-3-[(2-propan-2-ylpyrrolidin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 107455247
ethyl (2R)-1-[(2,5-difluorophenyl)methyl]piperidine-2-carboxylate
CID 6938215
1-cyclopentyl-N-[(2,5-difluorophenyl)methyl]ethanamine
CID 63794443

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]-N-methylethanamine?
The IUPAC name of 1-[1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]-N-methylethanamine (CID 63852929) is 1-[1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]-N-methylethanamine.
What is the SMILES notation for 1-[1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]-N-methylethanamine?
The canonical SMILES for 1-[1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]-N-methylethanamine is CNC(C)C1CCCCN1Cc1cc(F)ccc1F.
What is the InChIKey of 1-[1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]-N-methylethanamine?
The InChIKey is IAGDPKONVKMGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2/c1-11(18-2)15-5-3-4-8-19(15)10-12-9-13(16)6-7-14(12)17/h6-7,9,11,15,18H,3-5,8,10H2,1-2H3.
What are the key properties of 1-[1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]-N-methylethanamine?
1-[1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]-N-methylethanamine has a molecular weight of 268.35 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]-N-methylethanamine is sourced from PubChem (CID 63852929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).