(1S,5R)-8-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol

C19H29N3O — CID 50962011

IUPAC(1S,5R)-8-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCc1ccc(C2(CN3[C@@H]4CC[C@H]3CC(O)C4)CCNCC2)nc1
InChIInChI=1S/C19H29N3O/c1-14-2-5-18(21-12-14)19(6-8-20-9-7-19)13-22-15-3-4-16(22)11-17(23)10-15/h2,5,12,15-17,20,23H,3-4,6-11,13H2,1H3/t15-,16+,17?
InChIKeyIYVCWLZLHIYLIW-SJPCQFCGSA-N
MW315.46 g/mol
LogP2.00
Rot. Bonds3

About (1S,5R)-8-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol

(1S,5R)-8-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 50962011) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is (1S,5R)-8-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name(1S,5R)-8-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID50962011
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name(1S,5R)-8-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCc1ccc(C2(CN3[C@@H]4CC[C@H]3CC(O)C4)CCNCC2)nc1
InChIInChI=1S/C19H29N3O/c1-14-2-5-18(21-12-14)19(6-8-20-9-7-19)13-22-15-3-4-16(22)11-17(23)10-15/h2,5,12,15-17,20,23H,3-4,6-11,13H2,1H3/t15-,16+,17?
InChIKeyIYVCWLZLHIYLIW-SJPCQFCGSA-N
XLogP2.00
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1S,5R)-8-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-8-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of (1S,5R)-8-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 50962011) is (1S,5R)-8-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for (1S,5R)-8-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for (1S,5R)-8-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol is Cc1ccc(C2(CN3[C@@H]4CC[C@H]3CC(O)C4)CCNCC2)nc1.
What is the InChIKey of (1S,5R)-8-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is IYVCWLZLHIYLIW-SJPCQFCGSA-N. The full InChI is InChI=1S/C19H29N3O/c1-14-2-5-18(21-12-14)19(6-8-20-9-7-19)13-22-15-3-4-16(22)11-17(23)10-15/h2,5,12,15-17,20,23H,3-4,6-11,13H2,1H3/t15-,16+,17?.
What are the key properties of (1S,5R)-8-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol?
(1S,5R)-8-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 315.46 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-8-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 50962011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).