4-(7-methoxy-9,9-dipropylfluoren-2-yl)-1-methylpiperidin-4-ol

C26H35NO2 — CID 10739357

IUPAC4-(7-methoxy-9,9-dipropylfluoren-2-yl)-1-methylpiperidin-4-ol
SMILESCCCC1(CCC)c2cc(OC)ccc2-c2ccc(C3(O)CCN(C)CC3)cc21
InChIInChI=1S/C26H35NO2/c1-5-11-25(12-6-2)23-17-19(26(28)13-15-27(3)16-14-26)7-9-21(23)22-10-8-20(29-4)18-24(22)25/h7-10,17-18,28H,5-6,11-16H2,1-4H3
InChIKeyZTRSZTFKQQBBQT-UHFFFAOYSA-N
MW393.57 g/mol
LogP5.48
Rot. Bonds6

About 4-(7-methoxy-9,9-dipropylfluoren-2-yl)-1-methylpiperidin-4-ol

4-(7-methoxy-9,9-dipropylfluoren-2-yl)-1-methylpiperidin-4-ol (PubChem CID 10739357) has the molecular formula C26H35NO2 and a molecular weight of 393.57 g/mol. Its IUPAC name is 4-(7-methoxy-9,9-dipropylfluoren-2-yl)-1-methylpiperidin-4-ol.

Molecular Properties

Compound Name4-(7-methoxy-9,9-dipropylfluoren-2-yl)-1-methylpiperidin-4-ol
PubChem CID10739357
Molecular FormulaC26H35NO2
Molecular Weight393.57 g/mol
Exact Mass393.27
IUPAC Name4-(7-methoxy-9,9-dipropylfluoren-2-yl)-1-methylpiperidin-4-ol
SMILESCCCC1(CCC)c2cc(OC)ccc2-c2ccc(C3(O)CCN(C)CC3)cc21
InChIInChI=1S/C26H35NO2/c1-5-11-25(12-6-2)23-17-19(26(28)13-15-27(3)16-14-26)7-9-21(23)22-10-8-20(29-4)18-24(22)25/h7-10,17-18,28H,5-6,11-16H2,1-4H3
InChIKeyZTRSZTFKQQBBQT-UHFFFAOYSA-N
XLogP5.48
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.57
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(7-methoxy-9,9-dipropylfluoren-2-yl)-1-methylpiperidin-4-ol?
The IUPAC name of 4-(7-methoxy-9,9-dipropylfluoren-2-yl)-1-methylpiperidin-4-ol (CID 10739357) is 4-(7-methoxy-9,9-dipropylfluoren-2-yl)-1-methylpiperidin-4-ol.
What is the SMILES notation for 4-(7-methoxy-9,9-dipropylfluoren-2-yl)-1-methylpiperidin-4-ol?
The canonical SMILES for 4-(7-methoxy-9,9-dipropylfluoren-2-yl)-1-methylpiperidin-4-ol is CCCC1(CCC)c2cc(OC)ccc2-c2ccc(C3(O)CCN(C)CC3)cc21.
What is the InChIKey of 4-(7-methoxy-9,9-dipropylfluoren-2-yl)-1-methylpiperidin-4-ol?
The InChIKey is ZTRSZTFKQQBBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35NO2/c1-5-11-25(12-6-2)23-17-19(26(28)13-15-27(3)16-14-26)7-9-21(23)22-10-8-20(29-4)18-24(22)25/h7-10,17-18,28H,5-6,11-16H2,1-4H3.
What are the key properties of 4-(7-methoxy-9,9-dipropylfluoren-2-yl)-1-methylpiperidin-4-ol?
4-(7-methoxy-9,9-dipropylfluoren-2-yl)-1-methylpiperidin-4-ol has a molecular weight of 393.57 g/mol, XLogP of 5.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methoxy-9,9-dipropylfluoren-2-yl)-1-methylpiperidin-4-ol is sourced from PubChem (CID 10739357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).