3-chloro-N,N-dimethyl-2-piperidin-4-ylaniline

C13H19ClN2 — CID 117349937

IUPAC3-chloro-N,N-dimethyl-2-piperidin-4-ylaniline
SMILESCN(C)c1cccc(Cl)c1C1CCNCC1
InChIInChI=1S/C13H19ClN2/c1-16(2)12-5-3-4-11(14)13(12)10-6-8-15-9-7-10/h3-5,10,15H,6-9H2,1-2H3
InChIKeyFXSVZMUIFGCYFS-UHFFFAOYSA-N
MW238.76 g/mol
LogP2.87
Rot. Bonds2

About 3-chloro-N,N-dimethyl-2-piperidin-4-ylaniline

3-chloro-N,N-dimethyl-2-piperidin-4-ylaniline (PubChem CID 117349937) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 3-chloro-N,N-dimethyl-2-piperidin-4-ylaniline.

Molecular Properties

Compound Name3-chloro-N,N-dimethyl-2-piperidin-4-ylaniline
PubChem CID117349937
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name3-chloro-N,N-dimethyl-2-piperidin-4-ylaniline
SMILESCN(C)c1cccc(Cl)c1C1CCNCC1
InChIInChI=1S/C13H19ClN2/c1-16(2)12-5-3-4-11(14)13(12)10-6-8-15-9-7-10/h3-5,10,15H,6-9H2,1-2H3
InChIKeyFXSVZMUIFGCYFS-UHFFFAOYSA-N
XLogP2.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,N-dimethyl-2-piperidin-4-ylaniline?
The IUPAC name of 3-chloro-N,N-dimethyl-2-piperidin-4-ylaniline (CID 117349937) is 3-chloro-N,N-dimethyl-2-piperidin-4-ylaniline.
What is the SMILES notation for 3-chloro-N,N-dimethyl-2-piperidin-4-ylaniline?
The canonical SMILES for 3-chloro-N,N-dimethyl-2-piperidin-4-ylaniline is CN(C)c1cccc(Cl)c1C1CCNCC1.
What is the InChIKey of 3-chloro-N,N-dimethyl-2-piperidin-4-ylaniline?
The InChIKey is FXSVZMUIFGCYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-16(2)12-5-3-4-11(14)13(12)10-6-8-15-9-7-10/h3-5,10,15H,6-9H2,1-2H3.
What are the key properties of 3-chloro-N,N-dimethyl-2-piperidin-4-ylaniline?
3-chloro-N,N-dimethyl-2-piperidin-4-ylaniline has a molecular weight of 238.76 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,N-dimethyl-2-piperidin-4-ylaniline is sourced from PubChem (CID 117349937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).