5-chloro-N-[1-(2-methoxyethyl)piperidin-3-yl]pyridin-2-amine

C13H20ClN3O — CID 75377036

IUPAC5-chloro-N-[1-(2-methoxyethyl)piperidin-3-yl]pyridin-2-amine
SMILESCOCCN1CCCC(Nc2ccc(Cl)cn2)C1
InChIInChI=1S/C13H20ClN3O/c1-18-8-7-17-6-2-3-12(10-17)16-13-5-4-11(14)9-15-13/h4-5,9,12H,2-3,6-8,10H2,1H3,(H,15,16)
InChIKeyWRTVIIGYVPQXFH-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.26
Rot. Bonds5

About 5-chloro-N-[1-(2-methoxyethyl)piperidin-3-yl]pyridin-2-amine

5-chloro-N-[1-(2-methoxyethyl)piperidin-3-yl]pyridin-2-amine (PubChem CID 75377036) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 5-chloro-N-[1-(2-methoxyethyl)piperidin-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[1-(2-methoxyethyl)piperidin-3-yl]pyridin-2-amine
PubChem CID75377036
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name5-chloro-N-[1-(2-methoxyethyl)piperidin-3-yl]pyridin-2-amine
SMILESCOCCN1CCCC(Nc2ccc(Cl)cn2)C1
InChIInChI=1S/C13H20ClN3O/c1-18-8-7-17-6-2-3-12(10-17)16-13-5-4-11(14)9-15-13/h4-5,9,12H,2-3,6-8,10H2,1H3,(H,15,16)
InChIKeyWRTVIIGYVPQXFH-UHFFFAOYSA-N
XLogP2.26
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(2-methoxyethyl)piperidin-3-yl]pyridin-2-amine?
The IUPAC name of 5-chloro-N-[1-(2-methoxyethyl)piperidin-3-yl]pyridin-2-amine (CID 75377036) is 5-chloro-N-[1-(2-methoxyethyl)piperidin-3-yl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-[1-(2-methoxyethyl)piperidin-3-yl]pyridin-2-amine?
The canonical SMILES for 5-chloro-N-[1-(2-methoxyethyl)piperidin-3-yl]pyridin-2-amine is COCCN1CCCC(Nc2ccc(Cl)cn2)C1.
What is the InChIKey of 5-chloro-N-[1-(2-methoxyethyl)piperidin-3-yl]pyridin-2-amine?
The InChIKey is WRTVIIGYVPQXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-18-8-7-17-6-2-3-12(10-17)16-13-5-4-11(14)9-15-13/h4-5,9,12H,2-3,6-8,10H2,1H3,(H,15,16).
What are the key properties of 5-chloro-N-[1-(2-methoxyethyl)piperidin-3-yl]pyridin-2-amine?
5-chloro-N-[1-(2-methoxyethyl)piperidin-3-yl]pyridin-2-amine has a molecular weight of 269.78 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(2-methoxyethyl)piperidin-3-yl]pyridin-2-amine is sourced from PubChem (CID 75377036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).