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

C24H35N3O2 — CID 134563523

IUPAC[3-[(E)-hydroxyiminomethyl]-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methanol
SMILESCC(C)C1CCC(N2CCC(n3c(CO)c(/C=N/O)c4ccccc43)CC2)CC1
InChIInChI=1S/C24H35N3O2/c1-17(2)18-7-9-19(10-8-18)26-13-11-20(12-14-26)27-23-6-4-3-5-21(23)22(15-25-29)24(27)16-28/h3-6,15,17-20,28-29H,7-14,16H2,1-2H3/b25-15+
InChIKeyIABIWINBGDCGEN-MFKUBSTISA-N
MW397.56 g/mol
LogP4.79
Rot. Bonds5

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

[3-[(E)-hydroxyiminomethyl]-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methanol (PubChem CID 134563523) has the molecular formula C24H35N3O2 and a molecular weight of 397.56 g/mol. Its IUPAC name is [3-[(E)-hydroxyiminomethyl]-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methanol.

Molecular Properties

Compound Name[3-[(E)-hydroxyiminomethyl]-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methanol
PubChem CID134563523
Molecular FormulaC24H35N3O2
Molecular Weight397.56 g/mol
Exact Mass397.27
IUPAC Name[3-[(E)-hydroxyiminomethyl]-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methanol
SMILESCC(C)C1CCC(N2CCC(n3c(CO)c(/C=N/O)c4ccccc43)CC2)CC1
InChIInChI=1S/C24H35N3O2/c1-17(2)18-7-9-19(10-8-18)26-13-11-20(12-14-26)27-23-6-4-3-5-21(23)22(15-25-29)24(27)16-28/h3-6,15,17-20,28-29H,7-14,16H2,1-2H3/b25-15+
InChIKeyIABIWINBGDCGEN-MFKUBSTISA-N
XLogP4.79
TPSA60.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.56
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[3-[(Z)-hydroxyiminomethyl]-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methylcarbamic acid
CID 134563416
2-[3-[(E)-hydroxyiminomethyl]-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]ethyl 2,2-dimethylpropanoate
CID 134578307
[3-(methoxyiminomethyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methyl sulfamate
CID 134563649
[5-fluoro-3-(hydroxyiminomethyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methylcarbamic acid
CID 134563451
[5-fluoro-3-[(Z)-hydroxyiminomethyl]-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methyl carbamate
CID 139547536
benzyl N-[[3-[(Z)-hydroxyiminomethyl]-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-2-yl]methyl]carbamate
CID 139547532
[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methyl carbamate
CID 135367933
3-(3-phenylpropyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indole
CID 161170401
3-(2,3-dihydroindol-1-ylmethyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indole
CID 134563411
4-phenyl-1-(4-propan-2-ylcyclohexyl)piperidine
CID 142115785
6-amino-N-[[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methyl]hexanamide
CID 155542684
[5-fluoro-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methanamine
CID 134578491

Frequently Asked Questions

What is the IUPAC name of [3-[(E)-hydroxyiminomethyl]-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methanol?
The IUPAC name of [3-[(E)-hydroxyiminomethyl]-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methanol (CID 134563523) is [3-[(E)-hydroxyiminomethyl]-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methanol.
What is the SMILES notation for [3-[(E)-hydroxyiminomethyl]-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methanol?
The canonical SMILES for [3-[(E)-hydroxyiminomethyl]-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methanol is CC(C)C1CCC(N2CCC(n3c(CO)c(/C=N/O)c4ccccc43)CC2)CC1.
What is the InChIKey of [3-[(E)-hydroxyiminomethyl]-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methanol?
The InChIKey is IABIWINBGDCGEN-MFKUBSTISA-N. The full InChI is InChI=1S/C24H35N3O2/c1-17(2)18-7-9-19(10-8-18)26-13-11-20(12-14-26)27-23-6-4-3-5-21(23)22(15-25-29)24(27)16-28/h3-6,15,17-20,28-29H,7-14,16H2,1-2H3/b25-15+.
What are the key properties of [3-[(E)-hydroxyiminomethyl]-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methanol?
[3-[(E)-hydroxyiminomethyl]-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methanol has a molecular weight of 397.56 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(E)-hydroxyiminomethyl]-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methanol is sourced from PubChem (CID 134563523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).