2-chloro-4-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]pyridin-3-amine

C16H26ClN3 — CID 65484329

IUPAC2-chloro-4-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]pyridin-3-amine
SMILESCCCN1CCCC(C(C)Nc2c(C)ccnc2Cl)C1
InChIInChI=1S/C16H26ClN3/c1-4-9-20-10-5-6-14(11-20)13(3)19-15-12(2)7-8-18-16(15)17/h7-8,13-14,19H,4-6,9-11H2,1-3H3
InChIKeyXYDOBVAAMCKNPU-UHFFFAOYSA-N
MW295.86 g/mol
LogP3.97
Rot. Bonds5

About 2-chloro-4-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]pyridin-3-amine

2-chloro-4-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]pyridin-3-amine (PubChem CID 65484329) has the molecular formula C16H26ClN3 and a molecular weight of 295.86 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]pyridin-3-amine.

Molecular Properties

Compound Name2-chloro-4-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]pyridin-3-amine
PubChem CID65484329
Molecular FormulaC16H26ClN3
Molecular Weight295.86 g/mol
Exact Mass295.18
IUPAC Name2-chloro-4-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]pyridin-3-amine
SMILESCCCN1CCCC(C(C)Nc2c(C)ccnc2Cl)C1
InChIInChI=1S/C16H26ClN3/c1-4-9-20-10-5-6-14(11-20)13(3)19-15-12(2)7-8-18-16(15)17/h7-8,13-14,19H,4-6,9-11H2,1-3H3
InChIKeyXYDOBVAAMCKNPU-UHFFFAOYSA-N
XLogP3.97
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.86
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]pyridin-3-amine?
The IUPAC name of 2-chloro-4-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]pyridin-3-amine (CID 65484329) is 2-chloro-4-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]pyridin-3-amine.
What is the SMILES notation for 2-chloro-4-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]pyridin-3-amine?
The canonical SMILES for 2-chloro-4-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]pyridin-3-amine is CCCN1CCCC(C(C)Nc2c(C)ccnc2Cl)C1.
What is the InChIKey of 2-chloro-4-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]pyridin-3-amine?
The InChIKey is XYDOBVAAMCKNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3/c1-4-9-20-10-5-6-14(11-20)13(3)19-15-12(2)7-8-18-16(15)17/h7-8,13-14,19H,4-6,9-11H2,1-3H3.
What are the key properties of 2-chloro-4-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]pyridin-3-amine?
2-chloro-4-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]pyridin-3-amine has a molecular weight of 295.86 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]pyridin-3-amine is sourced from PubChem (CID 65484329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).