1-[5-(2,4-dimethylpiperidin-1-yl)-2-pyridinyl]-N-ethylethanamine

C16H27N3 — CID 83121863

IUPAC1-[5-(2,4-dimethylpiperidin-1-yl)-2-pyridinyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(N2CCC(C)CC2C)cn1
InChIInChI=1S/C16H27N3/c1-5-17-14(4)16-7-6-15(11-18-16)19-9-8-12(2)10-13(19)3/h6-7,11-14,17H,5,8-10H2,1-4H3
InChIKeyGMWZVKUGUVMRJG-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.38
Rot. Bonds4

About 1-[5-(2,4-dimethylpiperidin-1-yl)-2-pyridinyl]-N-ethylethanamine

1-[5-(2,4-dimethylpiperidin-1-yl)-2-pyridinyl]-N-ethylethanamine (PubChem CID 83121863) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-[5-(2,4-dimethylpiperidin-1-yl)-2-pyridinyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[5-(2,4-dimethylpiperidin-1-yl)-2-pyridinyl]-N-ethylethanamine
PubChem CID83121863
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name1-[5-(2,4-dimethylpiperidin-1-yl)-2-pyridinyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(N2CCC(C)CC2C)cn1
InChIInChI=1S/C16H27N3/c1-5-17-14(4)16-7-6-15(11-18-16)19-9-8-12(2)10-13(19)3/h6-7,11-14,17H,5,8-10H2,1-4H3
InChIKeyGMWZVKUGUVMRJG-UHFFFAOYSA-N
XLogP3.38
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,4-dimethylpiperidin-1-yl)-2-pyridinyl]-N-ethylethanamine?
The IUPAC name of 1-[5-(2,4-dimethylpiperidin-1-yl)-2-pyridinyl]-N-ethylethanamine (CID 83121863) is 1-[5-(2,4-dimethylpiperidin-1-yl)-2-pyridinyl]-N-ethylethanamine.
What is the SMILES notation for 1-[5-(2,4-dimethylpiperidin-1-yl)-2-pyridinyl]-N-ethylethanamine?
The canonical SMILES for 1-[5-(2,4-dimethylpiperidin-1-yl)-2-pyridinyl]-N-ethylethanamine is CCNC(C)c1ccc(N2CCC(C)CC2C)cn1.
What is the InChIKey of 1-[5-(2,4-dimethylpiperidin-1-yl)-2-pyridinyl]-N-ethylethanamine?
The InChIKey is GMWZVKUGUVMRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-5-17-14(4)16-7-6-15(11-18-16)19-9-8-12(2)10-13(19)3/h6-7,11-14,17H,5,8-10H2,1-4H3.
What are the key properties of 1-[5-(2,4-dimethylpiperidin-1-yl)-2-pyridinyl]-N-ethylethanamine?
1-[5-(2,4-dimethylpiperidin-1-yl)-2-pyridinyl]-N-ethylethanamine has a molecular weight of 261.41 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,4-dimethylpiperidin-1-yl)-2-pyridinyl]-N-ethylethanamine is sourced from PubChem (CID 83121863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).