[3-(2-aminoethyl)piperidin-1-yl]-(3,5-difluorophenyl)methanone

C14H18F2N2O — CID 63765932

IUPAC[3-(2-aminoethyl)piperidin-1-yl]-(3,5-difluorophenyl)methanone
SMILESNCCC1CCCN(C(=O)c2cc(F)cc(F)c2)C1
InChIInChI=1S/C14H18F2N2O/c15-12-6-11(7-13(16)8-12)14(19)18-5-1-2-10(9-18)3-4-17/h6-8,10H,1-5,9,17H2
InChIKeyHTCULYVEMMMRHL-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.17
Rot. Bonds3

About [3-(2-aminoethyl)piperidin-1-yl]-(3,5-difluorophenyl)methanone

[3-(2-aminoethyl)piperidin-1-yl]-(3,5-difluorophenyl)methanone (PubChem CID 63765932) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is [3-(2-aminoethyl)piperidin-1-yl]-(3,5-difluorophenyl)methanone.

Molecular Properties

Compound Name[3-(2-aminoethyl)piperidin-1-yl]-(3,5-difluorophenyl)methanone
PubChem CID63765932
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name[3-(2-aminoethyl)piperidin-1-yl]-(3,5-difluorophenyl)methanone
SMILESNCCC1CCCN(C(=O)c2cc(F)cc(F)c2)C1
InChIInChI=1S/C14H18F2N2O/c15-12-6-11(7-13(16)8-12)14(19)18-5-1-2-10(9-18)3-4-17/h6-8,10H,1-5,9,17H2
InChIKeyHTCULYVEMMMRHL-UHFFFAOYSA-N
XLogP2.17
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(2-aminoethyl)piperidin-1-yl]-(3-fluorophenyl)methanone
CID 63767654
[3-(2-aminoethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 63766318
[3-(2-aminoethyl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone;dihydrochloride
CID 120727478
[3-(aminomethyl)piperidin-1-yl]-(3-fluoro-5-methylphenyl)methanone;hydrochloride
CID 119464798
[3-(2-hydroxyethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 63186795
[3-(2-aminoethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 63765933
[3-(2-aminoethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 63766901
[3-(2-aminoethyl)piperidin-1-yl]-(3,4-dimethylphenyl)methanone
CID 63767469
[3-(2-aminoethyl)piperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone
CID 63765748
[3-(2-aminoethyl)piperidin-1-yl]-(4-bromophenyl)methanone;hydrochloride
CID 120727628
[3-(2-aminoethyl)piperidin-1-yl]-(4-chloro-2,5-difluorophenyl)methanone
CID 82771490
[3-(2-aminoethyl)pyrrolidin-1-yl]-(3,5-dihydroxyphenyl)methanone
CID 107706427

Frequently Asked Questions

What is the IUPAC name of [3-(2-aminoethyl)piperidin-1-yl]-(3,5-difluorophenyl)methanone?
The IUPAC name of [3-(2-aminoethyl)piperidin-1-yl]-(3,5-difluorophenyl)methanone (CID 63765932) is [3-(2-aminoethyl)piperidin-1-yl]-(3,5-difluorophenyl)methanone.
What is the SMILES notation for [3-(2-aminoethyl)piperidin-1-yl]-(3,5-difluorophenyl)methanone?
The canonical SMILES for [3-(2-aminoethyl)piperidin-1-yl]-(3,5-difluorophenyl)methanone is NCCC1CCCN(C(=O)c2cc(F)cc(F)c2)C1.
What is the InChIKey of [3-(2-aminoethyl)piperidin-1-yl]-(3,5-difluorophenyl)methanone?
The InChIKey is HTCULYVEMMMRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c15-12-6-11(7-13(16)8-12)14(19)18-5-1-2-10(9-18)3-4-17/h6-8,10H,1-5,9,17H2.
What are the key properties of [3-(2-aminoethyl)piperidin-1-yl]-(3,5-difluorophenyl)methanone?
[3-(2-aminoethyl)piperidin-1-yl]-(3,5-difluorophenyl)methanone has a molecular weight of 268.31 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-aminoethyl)piperidin-1-yl]-(3,5-difluorophenyl)methanone is sourced from PubChem (CID 63765932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).