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

C25H39N3O — CID 134578518

IUPAC2-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methylamino]ethanol
SMILESCC(C)C1CCC(N2CCC(n3cc(CNCCO)c4ccccc43)CC2)CC1
InChIInChI=1S/C25H39N3O/c1-19(2)20-7-9-22(10-8-20)27-14-11-23(12-15-27)28-18-21(17-26-13-16-29)24-5-3-4-6-25(24)28/h3-6,18-20,22-23,26,29H,7-17H2,1-2H3
InChIKeyMWMHYNCBTDRUCG-UHFFFAOYSA-N
MW397.61 g/mol
LogP4.57
Rot. Bonds7

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

2-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methylamino]ethanol (PubChem CID 134578518) has the molecular formula C25H39N3O and a molecular weight of 397.61 g/mol. Its IUPAC name is 2-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methylamino]ethanol.

Molecular Properties

Compound Name2-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methylamino]ethanol
PubChem CID134578518
Molecular FormulaC25H39N3O
Molecular Weight397.61 g/mol
Exact Mass397.31
IUPAC Name2-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methylamino]ethanol
SMILESCC(C)C1CCC(N2CCC(n3cc(CNCCO)c4ccccc43)CC2)CC1
InChIInChI=1S/C25H39N3O/c1-19(2)20-7-9-22(10-8-20)27-14-11-23(12-15-27)28-18-21(17-26-13-16-29)24-5-3-4-6-25(24)28/h3-6,18-20,22-23,26,29H,7-17H2,1-2H3
InChIKeyMWMHYNCBTDRUCG-UHFFFAOYSA-N
XLogP4.57
TPSA40.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.61
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methylamino]ethanol?
The IUPAC name of 2-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methylamino]ethanol (CID 134578518) is 2-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methylamino]ethanol.
What is the SMILES notation for 2-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methylamino]ethanol?
The canonical SMILES for 2-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methylamino]ethanol is CC(C)C1CCC(N2CCC(n3cc(CNCCO)c4ccccc43)CC2)CC1.
What is the InChIKey of 2-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methylamino]ethanol?
The InChIKey is MWMHYNCBTDRUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39N3O/c1-19(2)20-7-9-22(10-8-20)27-14-11-23(12-15-27)28-18-21(17-26-13-16-29)24-5-3-4-6-25(24)28/h3-6,18-20,22-23,26,29H,7-17H2,1-2H3.
What are the key properties of 2-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methylamino]ethanol?
2-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methylamino]ethanol has a molecular weight of 397.61 g/mol, XLogP of 4.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methylamino]ethanol is sourced from PubChem (CID 134578518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).