1-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methyl]azetidin-3-ol

C26H39N3O — CID 134563496

IUPAC1-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methyl]azetidin-3-ol
SMILESCC(C)C1CCC(N2CCC(n3cc(CN4CC(O)C4)c4ccccc43)CC2)CC1
InChIInChI=1S/C26H39N3O/c1-19(2)20-7-9-22(10-8-20)28-13-11-23(12-14-28)29-16-21(15-27-17-24(30)18-27)25-5-3-4-6-26(25)29/h3-6,16,19-20,22-24,30H,7-15,17-18H2,1-2H3
InChIKeyLCHNDEARQJNFQA-UHFFFAOYSA-N
MW409.62 g/mol
LogP4.67
Rot. Bonds5

About 1-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methyl]azetidin-3-ol

1-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methyl]azetidin-3-ol (PubChem CID 134563496) has the molecular formula C26H39N3O and a molecular weight of 409.62 g/mol. Its IUPAC name is 1-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methyl]azetidin-3-ol.

Molecular Properties

Compound Name1-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methyl]azetidin-3-ol
PubChem CID134563496
Molecular FormulaC26H39N3O
Molecular Weight409.62 g/mol
Exact Mass409.31
IUPAC Name1-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methyl]azetidin-3-ol
SMILESCC(C)C1CCC(N2CCC(n3cc(CN4CC(O)C4)c4ccccc43)CC2)CC1
InChIInChI=1S/C26H39N3O/c1-19(2)20-7-9-22(10-8-20)28-13-11-23(12-14-28)29-16-21(15-27-17-24(30)18-27)25-5-3-4-6-26(25)29/h3-6,16,19-20,22-24,30H,7-15,17-18H2,1-2H3
InChIKeyLCHNDEARQJNFQA-UHFFFAOYSA-N
XLogP4.67
TPSA31.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.62
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methyl]azetidin-3-ol?
The IUPAC name of 1-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methyl]azetidin-3-ol (CID 134563496) is 1-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methyl]azetidin-3-ol.
What is the SMILES notation for 1-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methyl]azetidin-3-ol?
The canonical SMILES for 1-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methyl]azetidin-3-ol is CC(C)C1CCC(N2CCC(n3cc(CN4CC(O)C4)c4ccccc43)CC2)CC1.
What is the InChIKey of 1-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methyl]azetidin-3-ol?
The InChIKey is LCHNDEARQJNFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N3O/c1-19(2)20-7-9-22(10-8-20)28-13-11-23(12-14-28)29-16-21(15-27-17-24(30)18-27)25-5-3-4-6-26(25)29/h3-6,16,19-20,22-24,30H,7-15,17-18H2,1-2H3.
What are the key properties of 1-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methyl]azetidin-3-ol?
1-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methyl]azetidin-3-ol has a molecular weight of 409.62 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methyl]azetidin-3-ol is sourced from PubChem (CID 134563496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).