6-ethoxy-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine

C16H27N3O — CID 79719565

IUPAC6-ethoxy-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine
SMILESCCOc1cccc(N(CC2CCNCC2)C(C)C)n1
InChIInChI=1S/C16H27N3O/c1-4-20-16-7-5-6-15(18-16)19(13(2)3)12-14-8-10-17-11-9-14/h5-7,13-14,17H,4,8-12H2,1-3H3
InChIKeyCWBNJGNMKPTBHQ-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.69
Rot. Bonds6

About 6-ethoxy-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine

6-ethoxy-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine (PubChem CID 79719565) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 6-ethoxy-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound Name6-ethoxy-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine
PubChem CID79719565
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name6-ethoxy-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine
SMILESCCOc1cccc(N(CC2CCNCC2)C(C)C)n1
InChIInChI=1S/C16H27N3O/c1-4-20-16-7-5-6-15(18-16)19(13(2)3)12-14-8-10-17-11-9-14/h5-7,13-14,17H,4,8-12H2,1-3H3
InChIKeyCWBNJGNMKPTBHQ-UHFFFAOYSA-N
XLogP2.69
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine?
The IUPAC name of 6-ethoxy-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine (CID 79719565) is 6-ethoxy-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine.
What is the SMILES notation for 6-ethoxy-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine?
The canonical SMILES for 6-ethoxy-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine is CCOc1cccc(N(CC2CCNCC2)C(C)C)n1.
What is the InChIKey of 6-ethoxy-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine?
The InChIKey is CWBNJGNMKPTBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-20-16-7-5-6-15(18-16)19(13(2)3)12-14-8-10-17-11-9-14/h5-7,13-14,17H,4,8-12H2,1-3H3.
What are the key properties of 6-ethoxy-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine?
6-ethoxy-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine has a molecular weight of 277.41 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 79719565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).