[(3R)-2-[(2-methyl-3-pyridinyl)methyl]-9-oxa-2-azaspiro[5.5]undecan-3-yl]methanol

C17H26N2O2 — CID 164633216

IUPAC[(3R)-2-[(2-methyl-3-pyridinyl)methyl]-9-oxa-2-azaspiro[5.5]undecan-3-yl]methanol
SMILESCc1ncccc1CN1CC2(CCOCC2)CC[C@@H]1CO
InChIInChI=1S/C17H26N2O2/c1-14-15(3-2-8-18-14)11-19-13-17(5-4-16(19)12-20)6-9-21-10-7-17/h2-3,8,16,20H,4-7,9-13H2,1H3/t16-/m1/s1
InChIKeyQSQGVILMPQJVOH-MRXNPFEDSA-N
MW290.41 g/mol
LogP2.14
Rot. Bonds3

About [(3R)-2-[(2-methyl-3-pyridinyl)methyl]-9-oxa-2-azaspiro[5.5]undecan-3-yl]methanol

[(3R)-2-[(2-methyl-3-pyridinyl)methyl]-9-oxa-2-azaspiro[5.5]undecan-3-yl]methanol (PubChem CID 164633216) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is [(3R)-2-[(2-methyl-3-pyridinyl)methyl]-9-oxa-2-azaspiro[5.5]undecan-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-2-[(2-methyl-3-pyridinyl)methyl]-9-oxa-2-azaspiro[5.5]undecan-3-yl]methanol
PubChem CID164633216
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name[(3R)-2-[(2-methyl-3-pyridinyl)methyl]-9-oxa-2-azaspiro[5.5]undecan-3-yl]methanol
SMILESCc1ncccc1CN1CC2(CCOCC2)CC[C@@H]1CO
InChIInChI=1S/C17H26N2O2/c1-14-15(3-2-8-18-14)11-19-13-17(5-4-16(19)12-20)6-9-21-10-7-17/h2-3,8,16,20H,4-7,9-13H2,1H3/t16-/m1/s1
InChIKeyQSQGVILMPQJVOH-MRXNPFEDSA-N
XLogP2.14
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3R)-2-[(2-methyl-3-pyridinyl)methyl]-9-oxa-2-azaspiro[5.5]undecan-3-yl]methanol?
The IUPAC name of [(3R)-2-[(2-methyl-3-pyridinyl)methyl]-9-oxa-2-azaspiro[5.5]undecan-3-yl]methanol (CID 164633216) is [(3R)-2-[(2-methyl-3-pyridinyl)methyl]-9-oxa-2-azaspiro[5.5]undecan-3-yl]methanol.
What is the SMILES notation for [(3R)-2-[(2-methyl-3-pyridinyl)methyl]-9-oxa-2-azaspiro[5.5]undecan-3-yl]methanol?
The canonical SMILES for [(3R)-2-[(2-methyl-3-pyridinyl)methyl]-9-oxa-2-azaspiro[5.5]undecan-3-yl]methanol is Cc1ncccc1CN1CC2(CCOCC2)CC[C@@H]1CO.
What is the InChIKey of [(3R)-2-[(2-methyl-3-pyridinyl)methyl]-9-oxa-2-azaspiro[5.5]undecan-3-yl]methanol?
The InChIKey is QSQGVILMPQJVOH-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-14-15(3-2-8-18-14)11-19-13-17(5-4-16(19)12-20)6-9-21-10-7-17/h2-3,8,16,20H,4-7,9-13H2,1H3/t16-/m1/s1.
What are the key properties of [(3R)-2-[(2-methyl-3-pyridinyl)methyl]-9-oxa-2-azaspiro[5.5]undecan-3-yl]methanol?
[(3R)-2-[(2-methyl-3-pyridinyl)methyl]-9-oxa-2-azaspiro[5.5]undecan-3-yl]methanol has a molecular weight of 290.41 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-2-[(2-methyl-3-pyridinyl)methyl]-9-oxa-2-azaspiro[5.5]undecan-3-yl]methanol is sourced from PubChem (CID 164633216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).