1-[3-[(Z)-hydroxyiminomethyl]indol-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol

C18H25N3O2 — CID 18590376

IUPAC1-[3-[(Z)-hydroxyiminomethyl]indol-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol
SMILESCC1CCN(CC(O)Cn2cc(/C=N\O)c3ccccc32)CC1
InChIInChI=1S/C18H25N3O2/c1-14-6-8-20(9-7-14)12-16(22)13-21-11-15(10-19-23)17-4-2-3-5-18(17)21/h2-5,10-11,14,16,22-23H,6-9,12-13H2,1H3/b19-10-
InChIKeyAHXPPVHLSYEQQZ-GRSHGNNSSA-N
MW315.42 g/mol
LogP2.54
Rot. Bonds5

About 1-[3-[(Z)-hydroxyiminomethyl]indol-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol

1-[3-[(Z)-hydroxyiminomethyl]indol-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol (PubChem CID 18590376) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-[3-[(Z)-hydroxyiminomethyl]indol-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-[3-[(Z)-hydroxyiminomethyl]indol-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol
PubChem CID18590376
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name1-[3-[(Z)-hydroxyiminomethyl]indol-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol
SMILESCC1CCN(CC(O)Cn2cc(/C=N\O)c3ccccc32)CC1
InChIInChI=1S/C18H25N3O2/c1-14-6-8-20(9-7-14)12-16(22)13-21-11-15(10-19-23)17-4-2-3-5-18(17)21/h2-5,10-11,14,16,22-23H,6-9,12-13H2,1H3/b19-10-
InChIKeyAHXPPVHLSYEQQZ-GRSHGNNSSA-N
XLogP2.54
TPSA60.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.54
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

1-[(2S)-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-hydroxypropyl]indole-3-carbaldehyde
CID 7372032
1-(2,3-dimethylindol-1-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 2896531
2-[[2-hydroxy-3-[3-[(E)-hydroxyiminomethyl]indol-1-yl]propyl]amino]butanoic acid
CID 71683435
1-carbazol-9-yl-3-(3-methylpyrrolidin-1-yl)propan-2-ol
CID 86879291
N-(4-chlorophenyl)-N-[2-hydroxy-3-[3-[(E)-hydroxyiminomethyl]indol-1-yl]propyl]methanesulfonamide
CID 18590164
1-(4-methylpiperidin-1-yl)-3-(2-pyridin-2-ylimidazol-1-yl)propan-2-ol
CID 109411363
3-[1-(2-hydroxy-3-morpholin-4-ylpropyl)indol-3-yl]-1-phenylprop-2-en-1-one
CID 4889673
(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-methylindol-1-yl)propan-2-ol
CID 177371282
(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-3-[3-(hydroxymethyl)indol-1-yl]propan-2-ol
CID 42223809
(2R)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-3-[3-(hydroxymethyl)indol-1-yl]propan-2-ol
CID 42223805
1-(4-methylpiperidin-1-yl)-3-[4-(2-phenylethyl)piperazin-1-yl]propan-2-ol
CID 110905075
2-[1-(2-hydroxy-3-piperidin-1-ylpropyl)indol-3-yl]acetic acid
CID 118726280

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(Z)-hydroxyiminomethyl]indol-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol?
The IUPAC name of 1-[3-[(Z)-hydroxyiminomethyl]indol-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol (CID 18590376) is 1-[3-[(Z)-hydroxyiminomethyl]indol-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-[3-[(Z)-hydroxyiminomethyl]indol-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol?
The canonical SMILES for 1-[3-[(Z)-hydroxyiminomethyl]indol-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol is CC1CCN(CC(O)Cn2cc(/C=N\O)c3ccccc32)CC1.
What is the InChIKey of 1-[3-[(Z)-hydroxyiminomethyl]indol-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol?
The InChIKey is AHXPPVHLSYEQQZ-GRSHGNNSSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-14-6-8-20(9-7-14)12-16(22)13-21-11-15(10-19-23)17-4-2-3-5-18(17)21/h2-5,10-11,14,16,22-23H,6-9,12-13H2,1H3/b19-10-.
What are the key properties of 1-[3-[(Z)-hydroxyiminomethyl]indol-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol?
1-[3-[(Z)-hydroxyiminomethyl]indol-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol has a molecular weight of 315.42 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(Z)-hydroxyiminomethyl]indol-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol is sourced from PubChem (CID 18590376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).