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

C28H43N3O — CID 134578506

IUPAC1-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methyl]piperidin-4-ol
SMILESCC(C)C1CCC(N2CCC(n3cc(CN4CCC(O)CC4)c4ccccc43)CC2)CC1
InChIInChI=1S/C28H43N3O/c1-21(2)22-7-9-24(10-8-22)30-17-11-25(12-18-30)31-20-23(27-5-3-4-6-28(27)31)19-29-15-13-26(32)14-16-29/h3-6,20-22,24-26,32H,7-19H2,1-2H3
InChIKeyPCXCVPKTSPZHJW-UHFFFAOYSA-N
MW437.67 g/mol
LogP5.45
Rot. Bonds5

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

1-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methyl]piperidin-4-ol (PubChem CID 134578506) has the molecular formula C28H43N3O and a molecular weight of 437.67 g/mol. Its IUPAC name is 1-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methyl]piperidin-4-ol
PubChem CID134578506
Molecular FormulaC28H43N3O
Molecular Weight437.67 g/mol
Exact Mass437.34
IUPAC Name1-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methyl]piperidin-4-ol
SMILESCC(C)C1CCC(N2CCC(n3cc(CN4CCC(O)CC4)c4ccccc43)CC2)CC1
InChIInChI=1S/C28H43N3O/c1-21(2)22-7-9-24(10-8-22)30-17-11-25(12-18-30)31-20-23(27-5-3-4-6-28(27)31)19-29-15-13-26(32)14-16-29/h3-6,20-22,24-26,32H,7-19H2,1-2H3
InChIKeyPCXCVPKTSPZHJW-UHFFFAOYSA-N
XLogP5.45
TPSA31.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.67
LogP ≤ 55.45
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]piperidin-4-ol?
The IUPAC name of 1-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methyl]piperidin-4-ol (CID 134578506) is 1-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methyl]piperidin-4-ol is CC(C)C1CCC(N2CCC(n3cc(CN4CCC(O)CC4)c4ccccc43)CC2)CC1.
What is the InChIKey of 1-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methyl]piperidin-4-ol?
The InChIKey is PCXCVPKTSPZHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H43N3O/c1-21(2)22-7-9-24(10-8-22)30-17-11-25(12-18-30)31-20-23(27-5-3-4-6-28(27)31)19-29-15-13-26(32)14-16-29/h3-6,20-22,24-26,32H,7-19H2,1-2H3.
What are the key properties of 1-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methyl]piperidin-4-ol?
1-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methyl]piperidin-4-ol has a molecular weight of 437.67 g/mol, XLogP of 5.45, 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]piperidin-4-ol is sourced from PubChem (CID 134578506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).