4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-ol

C19H29NO3 — CID 122181239

IUPAC4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-ol
SMILESCC(C)N1CCC(Oc2ccc(C3(O)CCOCC3)cc2)CC1
InChIInChI=1S/C19H29NO3/c1-15(2)20-11-7-18(8-12-20)23-17-5-3-16(4-6-17)19(21)9-13-22-14-10-19/h3-6,15,18,21H,7-14H2,1-2H3
InChIKeyAXQOKEVSNWALPT-UHFFFAOYSA-N
MW319.44 g/mol
LogP2.94
Rot. Bonds4

About 4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-ol

4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-ol (PubChem CID 122181239) has the molecular formula C19H29NO3 and a molecular weight of 319.44 g/mol. Its IUPAC name is 4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-ol.

Molecular Properties

Compound Name4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-ol
PubChem CID122181239
Molecular FormulaC19H29NO3
Molecular Weight319.44 g/mol
Exact Mass319.21
IUPAC Name4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-ol
SMILESCC(C)N1CCC(Oc2ccc(C3(O)CCOCC3)cc2)CC1
InChIInChI=1S/C19H29NO3/c1-15(2)20-11-7-18(8-12-20)23-17-5-3-16(4-6-17)19(21)9-13-22-14-10-19/h3-6,15,18,21H,7-14H2,1-2H3
InChIKeyAXQOKEVSNWALPT-UHFFFAOYSA-N
XLogP2.94
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.44
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-ol?
The IUPAC name of 4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-ol (CID 122181239) is 4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-ol.
What is the SMILES notation for 4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-ol?
The canonical SMILES for 4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-ol is CC(C)N1CCC(Oc2ccc(C3(O)CCOCC3)cc2)CC1.
What is the InChIKey of 4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-ol?
The InChIKey is AXQOKEVSNWALPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3/c1-15(2)20-11-7-18(8-12-20)23-17-5-3-16(4-6-17)19(21)9-13-22-14-10-19/h3-6,15,18,21H,7-14H2,1-2H3.
What are the key properties of 4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-ol?
4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-ol has a molecular weight of 319.44 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-ol is sourced from PubChem (CID 122181239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).