[2-(1-aminoethyl)piperidin-1-yl]-(2-chloro-4,5-difluorophenyl)methanone

C14H17ClF2N2O — CID 119436569

IUPAC[2-(1-aminoethyl)piperidin-1-yl]-(2-chloro-4,5-difluorophenyl)methanone
SMILESCC(N)C1CCCCN1C(=O)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C14H17ClF2N2O/c1-8(18)13-4-2-3-5-19(13)14(20)9-6-11(16)12(17)7-10(9)15/h6-8,13H,2-5,18H2,1H3
InChIKeyVDYOEOLWBFQLNY-UHFFFAOYSA-N
MW302.75 g/mol
LogP2.96
Rot. Bonds2

About [2-(1-aminoethyl)piperidin-1-yl]-(2-chloro-4,5-difluorophenyl)methanone

[2-(1-aminoethyl)piperidin-1-yl]-(2-chloro-4,5-difluorophenyl)methanone (PubChem CID 119436569) has the molecular formula C14H17ClF2N2O and a molecular weight of 302.75 g/mol. Its IUPAC name is [2-(1-aminoethyl)piperidin-1-yl]-(2-chloro-4,5-difluorophenyl)methanone.

Molecular Properties

Compound Name[2-(1-aminoethyl)piperidin-1-yl]-(2-chloro-4,5-difluorophenyl)methanone
PubChem CID119436569
Molecular FormulaC14H17ClF2N2O
Molecular Weight302.75 g/mol
Exact Mass302.10
IUPAC Name[2-(1-aminoethyl)piperidin-1-yl]-(2-chloro-4,5-difluorophenyl)methanone
SMILESCC(N)C1CCCCN1C(=O)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C14H17ClF2N2O/c1-8(18)13-4-2-3-5-19(13)14(20)9-6-11(16)12(17)7-10(9)15/h6-8,13H,2-5,18H2,1H3
InChIKeyVDYOEOLWBFQLNY-UHFFFAOYSA-N
XLogP2.96
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.75
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

[2-(1-aminoethyl)piperidin-1-yl]-(2,4-dichloro-5-methylsulfanylphenyl)methanone;hydrochloride
CID 119435727
[2-(1-aminoethyl)piperidin-1-yl]-(5-chloro-2-fluorophenyl)methanone;hydrochloride
CID 119436610
[2-(1-aminoethyl)piperidin-1-yl]-(2-chloro-4-methylphenyl)methanone
CID 106862126
[2-(1-aminoethyl)piperidin-1-yl]-(5-bromo-2-chlorophenyl)methanone
CID 63255328
[2-(1-aminoethyl)piperidin-1-yl]-(2-chloro-4-iodophenyl)methanone
CID 119435609
[2-(aminomethyl)piperidin-1-yl]-(2-chloro-4,5-difluorophenyl)methanone;hydrochloride
CID 119468475
[2-(1-aminoethyl)piperidin-1-yl]-(3-chloro-4-pyridinyl)methanone
CID 66483593
[2-(1-aminoethyl)piperidin-1-yl]-(5-bromo-2-fluorophenyl)methanone;hydrochloride
CID 119435814
[2-(1-aminoethyl)piperidin-1-yl]-(2-bromo-4-chlorophenyl)methanone;hydrochloride
CID 119436502
[2-(1-aminoethyl)piperidin-1-yl]-(2,3-difluorophenyl)methanone;hydrochloride
CID 119437459
[2-(1-aminoethyl)piperidin-1-yl]-[2-fluoro-5-(trifluoromethyl)phenyl]methanone
CID 119437495
[2-(1-aminoethyl)piperidin-1-yl]-(5-fluoro-2-iodophenyl)methanone;hydrochloride
CID 119435592

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-(2-chloro-4,5-difluorophenyl)methanone?
The IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-(2-chloro-4,5-difluorophenyl)methanone (CID 119436569) is [2-(1-aminoethyl)piperidin-1-yl]-(2-chloro-4,5-difluorophenyl)methanone.
What is the SMILES notation for [2-(1-aminoethyl)piperidin-1-yl]-(2-chloro-4,5-difluorophenyl)methanone?
The canonical SMILES for [2-(1-aminoethyl)piperidin-1-yl]-(2-chloro-4,5-difluorophenyl)methanone is CC(N)C1CCCCN1C(=O)c1cc(F)c(F)cc1Cl.
What is the InChIKey of [2-(1-aminoethyl)piperidin-1-yl]-(2-chloro-4,5-difluorophenyl)methanone?
The InChIKey is VDYOEOLWBFQLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF2N2O/c1-8(18)13-4-2-3-5-19(13)14(20)9-6-11(16)12(17)7-10(9)15/h6-8,13H,2-5,18H2,1H3.
What are the key properties of [2-(1-aminoethyl)piperidin-1-yl]-(2-chloro-4,5-difluorophenyl)methanone?
[2-(1-aminoethyl)piperidin-1-yl]-(2-chloro-4,5-difluorophenyl)methanone has a molecular weight of 302.75 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminoethyl)piperidin-1-yl]-(2-chloro-4,5-difluorophenyl)methanone is sourced from PubChem (CID 119436569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).