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

C14H20F2N2 — CID 55216872

IUPAC1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]ethanamine
SMILESCC(N)C1CCN(Cc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C14H20F2N2/c1-10(17)12-4-6-18(7-5-12)9-11-2-3-13(15)14(16)8-11/h2-3,8,10,12H,4-7,9,17H2,1H3
InChIKeySKEPGMAOGKMSLH-UHFFFAOYSA-N
MW254.32 g/mol
LogP2.52
Rot. Bonds3

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

1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]ethanamine (PubChem CID 55216872) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is 1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]ethanamine
PubChem CID55216872
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC Name1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]ethanamine
SMILESCC(N)C1CCN(Cc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C14H20F2N2/c1-10(17)12-4-6-18(7-5-12)9-11-2-3-13(15)14(16)8-11/h2-3,8,10,12H,4-7,9,17H2,1H3
InChIKeySKEPGMAOGKMSLH-UHFFFAOYSA-N
XLogP2.52
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethanamine
CID 63596526
1-[1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 113360661
1-[1-[(4-ethoxy-3-fluorophenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 120843364
1-[1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]ethanamine
CID 103975652
1-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]ethanamine
CID 114851225
1-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 83980773
1-[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-4-yl]ethanol
CID 103657157
1-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]ethanamine
CID 63596533
1-[1-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]ethanamine;hydrochloride
CID 120838215
1-[1-[(2,5-dichlorophenyl)methyl]piperidin-4-yl]ethanamine;hydrochloride
CID 119920676
2-(3,4-difluorophenyl)-2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanamine
CID 83973668
2,6-difluoro-4-[(4-propan-2-ylpiperidin-1-yl)methyl]phenol
CID 103887255

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]ethanamine?
The IUPAC name of 1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]ethanamine (CID 55216872) is 1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]ethanamine.
What is the SMILES notation for 1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]ethanamine?
The canonical SMILES for 1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]ethanamine is CC(N)C1CCN(Cc2ccc(F)c(F)c2)CC1.
What is the InChIKey of 1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]ethanamine?
The InChIKey is SKEPGMAOGKMSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2/c1-10(17)12-4-6-18(7-5-12)9-11-2-3-13(15)14(16)8-11/h2-3,8,10,12H,4-7,9,17H2,1H3.
What are the key properties of 1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]ethanamine?
1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]ethanamine has a molecular weight of 254.32 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]ethanamine is sourced from PubChem (CID 55216872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).