2-chloro-N,N-diethyl-6-piperidin-4-yloxyaniline

C15H23ClN2O — CID 142482877

IUPAC2-chloro-N,N-diethyl-6-piperidin-4-yloxyaniline
SMILESCCN(CC)c1c(Cl)cccc1OC1CCNCC1
InChIInChI=1S/C15H23ClN2O/c1-3-18(4-2)15-13(16)6-5-7-14(15)19-12-8-10-17-11-9-12/h5-7,12,17H,3-4,8-11H2,1-2H3
InChIKeyHMXOVQNKEPEPEG-UHFFFAOYSA-N
MW282.81 g/mol
LogP3.32
Rot. Bonds5

About 2-chloro-N,N-diethyl-6-piperidin-4-yloxyaniline

2-chloro-N,N-diethyl-6-piperidin-4-yloxyaniline (PubChem CID 142482877) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 2-chloro-N,N-diethyl-6-piperidin-4-yloxyaniline.

Molecular Properties

Compound Name2-chloro-N,N-diethyl-6-piperidin-4-yloxyaniline
PubChem CID142482877
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name2-chloro-N,N-diethyl-6-piperidin-4-yloxyaniline
SMILESCCN(CC)c1c(Cl)cccc1OC1CCNCC1
InChIInChI=1S/C15H23ClN2O/c1-3-18(4-2)15-13(16)6-5-7-14(15)19-12-8-10-17-11-9-12/h5-7,12,17H,3-4,8-11H2,1-2H3
InChIKeyHMXOVQNKEPEPEG-UHFFFAOYSA-N
XLogP3.32
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-diethyl-6-piperidin-4-yloxyaniline?
The IUPAC name of 2-chloro-N,N-diethyl-6-piperidin-4-yloxyaniline (CID 142482877) is 2-chloro-N,N-diethyl-6-piperidin-4-yloxyaniline.
What is the SMILES notation for 2-chloro-N,N-diethyl-6-piperidin-4-yloxyaniline?
The canonical SMILES for 2-chloro-N,N-diethyl-6-piperidin-4-yloxyaniline is CCN(CC)c1c(Cl)cccc1OC1CCNCC1.
What is the InChIKey of 2-chloro-N,N-diethyl-6-piperidin-4-yloxyaniline?
The InChIKey is HMXOVQNKEPEPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-3-18(4-2)15-13(16)6-5-7-14(15)19-12-8-10-17-11-9-12/h5-7,12,17H,3-4,8-11H2,1-2H3.
What are the key properties of 2-chloro-N,N-diethyl-6-piperidin-4-yloxyaniline?
2-chloro-N,N-diethyl-6-piperidin-4-yloxyaniline has a molecular weight of 282.81 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-diethyl-6-piperidin-4-yloxyaniline is sourced from PubChem (CID 142482877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).