3-[(2-methylphenoxy)methyl]-1-(oxan-4-ylmethyl)piperidin-3-ol

C19H29NO3 — CID 132948444

IUPAC3-[(2-methylphenoxy)methyl]-1-(oxan-4-ylmethyl)piperidin-3-ol
SMILESCc1ccccc1OCC1(O)CCCN(CC2CCOCC2)C1
InChIInChI=1S/C19H29NO3/c1-16-5-2-3-6-18(16)23-15-19(21)9-4-10-20(14-19)13-17-7-11-22-12-8-17/h2-3,5-6,17,21H,4,7-15H2,1H3
InChIKeyFHCQOAZSERSFHK-UHFFFAOYSA-N
MW319.44 g/mol
LogP2.63
Rot. Bonds5

About 3-[(2-methylphenoxy)methyl]-1-(oxan-4-ylmethyl)piperidin-3-ol

3-[(2-methylphenoxy)methyl]-1-(oxan-4-ylmethyl)piperidin-3-ol (PubChem CID 132948444) has the molecular formula C19H29NO3 and a molecular weight of 319.44 g/mol. Its IUPAC name is 3-[(2-methylphenoxy)methyl]-1-(oxan-4-ylmethyl)piperidin-3-ol.

Molecular Properties

Compound Name3-[(2-methylphenoxy)methyl]-1-(oxan-4-ylmethyl)piperidin-3-ol
PubChem CID132948444
Molecular FormulaC19H29NO3
Molecular Weight319.44 g/mol
Exact Mass319.21
IUPAC Name3-[(2-methylphenoxy)methyl]-1-(oxan-4-ylmethyl)piperidin-3-ol
SMILESCc1ccccc1OCC1(O)CCCN(CC2CCOCC2)C1
InChIInChI=1S/C19H29NO3/c1-16-5-2-3-6-18(16)23-15-19(21)9-4-10-20(14-19)13-17-7-11-22-12-8-17/h2-3,5-6,17,21H,4,7-15H2,1H3
InChIKeyFHCQOAZSERSFHK-UHFFFAOYSA-N
XLogP2.63
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.44
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylphenoxy)methyl]-1-(oxan-4-ylmethyl)piperidin-3-ol?
The IUPAC name of 3-[(2-methylphenoxy)methyl]-1-(oxan-4-ylmethyl)piperidin-3-ol (CID 132948444) is 3-[(2-methylphenoxy)methyl]-1-(oxan-4-ylmethyl)piperidin-3-ol.
What is the SMILES notation for 3-[(2-methylphenoxy)methyl]-1-(oxan-4-ylmethyl)piperidin-3-ol?
The canonical SMILES for 3-[(2-methylphenoxy)methyl]-1-(oxan-4-ylmethyl)piperidin-3-ol is Cc1ccccc1OCC1(O)CCCN(CC2CCOCC2)C1.
What is the InChIKey of 3-[(2-methylphenoxy)methyl]-1-(oxan-4-ylmethyl)piperidin-3-ol?
The InChIKey is FHCQOAZSERSFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3/c1-16-5-2-3-6-18(16)23-15-19(21)9-4-10-20(14-19)13-17-7-11-22-12-8-17/h2-3,5-6,17,21H,4,7-15H2,1H3.
What are the key properties of 3-[(2-methylphenoxy)methyl]-1-(oxan-4-ylmethyl)piperidin-3-ol?
3-[(2-methylphenoxy)methyl]-1-(oxan-4-ylmethyl)piperidin-3-ol has a molecular weight of 319.44 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylphenoxy)methyl]-1-(oxan-4-ylmethyl)piperidin-3-ol is sourced from PubChem (CID 132948444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).