(4S)-1-[(6-ethoxy-3-pyridinyl)methyl]-3,3,4-trimethylpiperidin-4-ol

C16H26N2O2 — CID 72863755

IUPAC(4S)-1-[(6-ethoxy-3-pyridinyl)methyl]-3,3,4-trimethylpiperidin-4-ol
SMILESCCOc1ccc(CN2CC[C@](C)(O)C(C)(C)C2)cn1
InChIInChI=1S/C16H26N2O2/c1-5-20-14-7-6-13(10-17-14)11-18-9-8-16(4,19)15(2,3)12-18/h6-7,10,19H,5,8-9,11-12H2,1-4H3/t16-/m0/s1
InChIKeyYINXIZULJRMYNG-INIZCTEOSA-N
MW278.40 g/mol
LogP2.46
Rot. Bonds4

About (4S)-1-[(6-ethoxy-3-pyridinyl)methyl]-3,3,4-trimethylpiperidin-4-ol

(4S)-1-[(6-ethoxy-3-pyridinyl)methyl]-3,3,4-trimethylpiperidin-4-ol (PubChem CID 72863755) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is (4S)-1-[(6-ethoxy-3-pyridinyl)methyl]-3,3,4-trimethylpiperidin-4-ol.

Molecular Properties

Compound Name(4S)-1-[(6-ethoxy-3-pyridinyl)methyl]-3,3,4-trimethylpiperidin-4-ol
PubChem CID72863755
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name(4S)-1-[(6-ethoxy-3-pyridinyl)methyl]-3,3,4-trimethylpiperidin-4-ol
SMILESCCOc1ccc(CN2CC[C@](C)(O)C(C)(C)C2)cn1
InChIInChI=1S/C16H26N2O2/c1-5-20-14-7-6-13(10-17-14)11-18-9-8-16(4,19)15(2,3)12-18/h6-7,10,19H,5,8-9,11-12H2,1-4H3/t16-/m0/s1
InChIKeyYINXIZULJRMYNG-INIZCTEOSA-N
XLogP2.46
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-1-[(6-ethoxy-3-pyridinyl)methyl]-3,3,4-trimethylpiperidin-4-ol?
The IUPAC name of (4S)-1-[(6-ethoxy-3-pyridinyl)methyl]-3,3,4-trimethylpiperidin-4-ol (CID 72863755) is (4S)-1-[(6-ethoxy-3-pyridinyl)methyl]-3,3,4-trimethylpiperidin-4-ol.
What is the SMILES notation for (4S)-1-[(6-ethoxy-3-pyridinyl)methyl]-3,3,4-trimethylpiperidin-4-ol?
The canonical SMILES for (4S)-1-[(6-ethoxy-3-pyridinyl)methyl]-3,3,4-trimethylpiperidin-4-ol is CCOc1ccc(CN2CC[C@](C)(O)C(C)(C)C2)cn1.
What is the InChIKey of (4S)-1-[(6-ethoxy-3-pyridinyl)methyl]-3,3,4-trimethylpiperidin-4-ol?
The InChIKey is YINXIZULJRMYNG-INIZCTEOSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-20-14-7-6-13(10-17-14)11-18-9-8-16(4,19)15(2,3)12-18/h6-7,10,19H,5,8-9,11-12H2,1-4H3/t16-/m0/s1.
What are the key properties of (4S)-1-[(6-ethoxy-3-pyridinyl)methyl]-3,3,4-trimethylpiperidin-4-ol?
(4S)-1-[(6-ethoxy-3-pyridinyl)methyl]-3,3,4-trimethylpiperidin-4-ol has a molecular weight of 278.40 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-[(6-ethoxy-3-pyridinyl)methyl]-3,3,4-trimethylpiperidin-4-ol is sourced from PubChem (CID 72863755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).