[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methanol

C23H34N2O — CID 134563650

IUPAC[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methanol
SMILESCC(C)C1CCC(N2CCC(n3cc(CO)c4ccccc43)CC2)CC1
InChIInChI=1S/C23H34N2O/c1-17(2)18-7-9-20(10-8-18)24-13-11-21(12-14-24)25-15-19(16-26)22-5-3-4-6-23(22)25/h3-6,15,17-18,20-21,26H,7-14,16H2,1-2H3
InChIKeyJDXUKGDQAXGTDS-UHFFFAOYSA-N
MW354.54 g/mol
LogP4.99
Rot. Bonds4

About [1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methanol

[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methanol (PubChem CID 134563650) has the molecular formula C23H34N2O and a molecular weight of 354.54 g/mol. Its IUPAC name is [1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methanol.

Molecular Properties

Compound Name[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methanol
PubChem CID134563650
Molecular FormulaC23H34N2O
Molecular Weight354.54 g/mol
Exact Mass354.27
IUPAC Name[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methanol
SMILESCC(C)C1CCC(N2CCC(n3cc(CO)c4ccccc43)CC2)CC1
InChIInChI=1S/C23H34N2O/c1-17(2)18-7-9-20(10-8-18)24-13-11-21(12-14-24)25-15-19(16-26)22-5-3-4-6-23(22)25/h3-6,15,17-18,20-21,26H,7-14,16H2,1-2H3
InChIKeyJDXUKGDQAXGTDS-UHFFFAOYSA-N
XLogP4.99
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.54
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methanol?
The IUPAC name of [1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methanol (CID 134563650) is [1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methanol.
What is the SMILES notation for [1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methanol?
The canonical SMILES for [1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methanol is CC(C)C1CCC(N2CCC(n3cc(CO)c4ccccc43)CC2)CC1.
What is the InChIKey of [1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methanol?
The InChIKey is JDXUKGDQAXGTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O/c1-17(2)18-7-9-20(10-8-18)24-13-11-21(12-14-24)25-15-19(16-26)22-5-3-4-6-23(22)25/h3-6,15,17-18,20-21,26H,7-14,16H2,1-2H3.
What are the key properties of [1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methanol?
[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methanol has a molecular weight of 354.54 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methanol is sourced from PubChem (CID 134563650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).