6-[4-(2-hydroxyphenyl)piperidin-1-yl]-2-azaspiro[3.4]octane-2-carbaldehyde

C19H26N2O2 — CID 175239982

IUPAC6-[4-(2-hydroxyphenyl)piperidin-1-yl]-2-azaspiro[3.4]octane-2-carbaldehyde
SMILESO=CN1CC2(CCC(N3CCC(c4ccccc4O)CC3)C2)C1
InChIInChI=1S/C19H26N2O2/c22-14-20-12-19(13-20)8-5-16(11-19)21-9-6-15(7-10-21)17-3-1-2-4-18(17)23/h1-4,14-16,23H,5-13H2
InChIKeyQQSDVIIGSSIUBT-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.58
Rot. Bonds3

About 6-[4-(2-hydroxyphenyl)piperidin-1-yl]-2-azaspiro[3.4]octane-2-carbaldehyde

6-[4-(2-hydroxyphenyl)piperidin-1-yl]-2-azaspiro[3.4]octane-2-carbaldehyde (PubChem CID 175239982) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 6-[4-(2-hydroxyphenyl)piperidin-1-yl]-2-azaspiro[3.4]octane-2-carbaldehyde.

Molecular Properties

Compound Name6-[4-(2-hydroxyphenyl)piperidin-1-yl]-2-azaspiro[3.4]octane-2-carbaldehyde
PubChem CID175239982
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name6-[4-(2-hydroxyphenyl)piperidin-1-yl]-2-azaspiro[3.4]octane-2-carbaldehyde
SMILESO=CN1CC2(CCC(N3CCC(c4ccccc4O)CC3)C2)C1
InChIInChI=1S/C19H26N2O2/c22-14-20-12-19(13-20)8-5-16(11-19)21-9-6-15(7-10-21)17-3-1-2-4-18(17)23/h1-4,14-16,23H,5-13H2
InChIKeyQQSDVIIGSSIUBT-UHFFFAOYSA-N
XLogP2.58
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-[2-[1-[(6R)-2-(1,3,4-oxadiazol-2-yl)-2-azaspiro[3.4]octan-6-yl]piperidin-4-yl]phenyl]cyclohexan-1-ol
CID 158525619
tert-butyl (6R)-6-[4-[2-(trifluoromethylsulfonyloxy)phenyl]piperidin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate
CID 156674588
tert-butyl (6R)-6-[4-[2-(oxan-4-yl)phenyl]piperidin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate;(6R)-6-[4-[2-(oxan-4-yl)phenyl]piperidin-1-yl]-2-azaspiro[3.4]octane
CID 175777384
2-[1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]phenol
CID 58772232
tert-butyl (6R)-6-[4-[2-(3,6-dihydro-2H-pyran-4-yl)phenyl]piperidin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate;tert-butyl (6R)-6-[4-[2-(oxan-4-yl)phenyl]piperidin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate
CID 175777426
4-(2-fluorophenyl)piperidine-1-carbaldehyde
CID 87956080
ethyl (6R)-6-[4-[3-(oxan-4-yl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate
CID 171849459
6-[6-(trifluoromethyl)-2-pyridinyl]-2-azaspiro[3.4]octane-2-carbaldehyde
CID 169002396
CID 171092620
CID 171092620
2-cyclododecylphenol
CID 22381643
3,4-dichloro-N-[2-[(3R)-3-[4-(2-hydroxyphenyl)piperidin-1-yl]pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 69228795
3-[6-[1-[(6R)-2-azaspiro[3.4]octan-6-yl]piperidin-4-yl]-2,3,4-trimethylphenyl]cyclopentan-1-ol
CID 170000068

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-hydroxyphenyl)piperidin-1-yl]-2-azaspiro[3.4]octane-2-carbaldehyde?
The IUPAC name of 6-[4-(2-hydroxyphenyl)piperidin-1-yl]-2-azaspiro[3.4]octane-2-carbaldehyde (CID 175239982) is 6-[4-(2-hydroxyphenyl)piperidin-1-yl]-2-azaspiro[3.4]octane-2-carbaldehyde.
What is the SMILES notation for 6-[4-(2-hydroxyphenyl)piperidin-1-yl]-2-azaspiro[3.4]octane-2-carbaldehyde?
The canonical SMILES for 6-[4-(2-hydroxyphenyl)piperidin-1-yl]-2-azaspiro[3.4]octane-2-carbaldehyde is O=CN1CC2(CCC(N3CCC(c4ccccc4O)CC3)C2)C1.
What is the InChIKey of 6-[4-(2-hydroxyphenyl)piperidin-1-yl]-2-azaspiro[3.4]octane-2-carbaldehyde?
The InChIKey is QQSDVIIGSSIUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c22-14-20-12-19(13-20)8-5-16(11-19)21-9-6-15(7-10-21)17-3-1-2-4-18(17)23/h1-4,14-16,23H,5-13H2.
What are the key properties of 6-[4-(2-hydroxyphenyl)piperidin-1-yl]-2-azaspiro[3.4]octane-2-carbaldehyde?
6-[4-(2-hydroxyphenyl)piperidin-1-yl]-2-azaspiro[3.4]octane-2-carbaldehyde has a molecular weight of 314.43 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-hydroxyphenyl)piperidin-1-yl]-2-azaspiro[3.4]octane-2-carbaldehyde is sourced from PubChem (CID 175239982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).