2-[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]ethanamine

C14H20F2N2 — CID 63762828

IUPAC2-[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]ethanamine
SMILESNCCC1CCCN(Cc2ccc(F)cc2F)C1
InChIInChI=1S/C14H20F2N2/c15-13-4-3-12(14(16)8-13)10-18-7-1-2-11(9-18)5-6-17/h3-4,8,11H,1-2,5-7,9-10,17H2
InChIKeyBHPGMTSKCNYUTA-UHFFFAOYSA-N
MW254.32 g/mol
LogP2.53
Rot. Bonds4

About 2-[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]ethanamine

2-[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]ethanamine (PubChem CID 63762828) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is 2-[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]ethanamine
PubChem CID63762828
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC Name2-[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]ethanamine
SMILESNCCC1CCCN(Cc2ccc(F)cc2F)C1
InChIInChI=1S/C14H20F2N2/c15-13-4-3-12(14(16)8-13)10-18-7-1-2-11(9-18)5-6-17/h3-4,8,11H,1-2,5-7,9-10,17H2
InChIKeyBHPGMTSKCNYUTA-UHFFFAOYSA-N
XLogP2.53
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine
CID 62580437
2-[1-[(5-chloro-2-fluorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728723
(3R)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-amine
CID 24904864
N-[[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methyl]propan-1-amine
CID 62581870
[1-[(4-bromo-2-fluorophenyl)methyl]piperidin-3-yl]methanamine;hydrochloride
CID 119915607
2-[1-[(2-chloro-3-fluorophenyl)methyl]piperidin-3-yl]ethanamine
CID 112652826
1-[3-(2-aminoethyl)piperidin-1-yl]-2-(2,4-difluorophenyl)ethanone;hydrochloride
CID 120727582
2-[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728410
2-[1-[(4-chloro-2-methylphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728637
2-[1-[(2,5-dichlorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728466
1-[(2,4-difluorophenyl)methyl]piperidine-3-carboxylic acid
CID 4555188
2-[1-[(2-chloro-5-fluoro-4-methylphenyl)methyl]piperidin-3-yl]ethanamine
CID 117045104

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]ethanamine?
The IUPAC name of 2-[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]ethanamine (CID 63762828) is 2-[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]ethanamine.
What is the SMILES notation for 2-[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]ethanamine?
The canonical SMILES for 2-[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]ethanamine is NCCC1CCCN(Cc2ccc(F)cc2F)C1.
What is the InChIKey of 2-[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]ethanamine?
The InChIKey is BHPGMTSKCNYUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2/c15-13-4-3-12(14(16)8-13)10-18-7-1-2-11(9-18)5-6-17/h3-4,8,11H,1-2,5-7,9-10,17H2.
What are the key properties of 2-[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]ethanamine?
2-[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]ethanamine has a molecular weight of 254.32 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]ethanamine is sourced from PubChem (CID 63762828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).