4-[(1H-indol-4-ylmethylamino)methyl]cyclohexan-1-ol

C16H22N2O — CID 106125391

IUPAC4-[(1H-indol-4-ylmethylamino)methyl]cyclohexan-1-ol
SMILESOC1CCC(CNCc2cccc3[nH]ccc23)CC1
InChIInChI=1S/C16H22N2O/c19-14-6-4-12(5-7-14)10-17-11-13-2-1-3-16-15(13)8-9-18-16/h1-3,8-9,12,14,17-19H,4-7,10-11H2
InChIKeyOQEXJMXISUWFPV-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.81
Rot. Bonds4

About 4-[(1H-indol-4-ylmethylamino)methyl]cyclohexan-1-ol

4-[(1H-indol-4-ylmethylamino)methyl]cyclohexan-1-ol (PubChem CID 106125391) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 4-[(1H-indol-4-ylmethylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(1H-indol-4-ylmethylamino)methyl]cyclohexan-1-ol
PubChem CID106125391
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name4-[(1H-indol-4-ylmethylamino)methyl]cyclohexan-1-ol
SMILESOC1CCC(CNCc2cccc3[nH]ccc23)CC1
InChIInChI=1S/C16H22N2O/c19-14-6-4-12(5-7-14)10-17-11-13-2-1-3-16-15(13)8-9-18-16/h1-3,8-9,12,14,17-19H,4-7,10-11H2
InChIKeyOQEXJMXISUWFPV-UHFFFAOYSA-N
XLogP2.81
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-indol-4-ylmethyl)-1-(1-methylpiperidin-4-yl)methanamine
CID 63378381
N-(1H-indol-4-ylmethyl)-1-(1-phenylpyrrolidin-3-yl)methanamine
CID 119110013
2-(1H-indol-4-ylmethylamino)ethanol
CID 53269747
1-cyclobutyl-N-(1H-indol-3-ylmethyl)methanamine
CID 62332415
N-(1H-indol-4-ylmethyl)-1-[1-(3-methoxyphenyl)pyrrolidin-3-yl]methanamine
CID 119110654
N-cyclopropyl-2-(1H-indol-4-ylmethylamino)acetamide
CID 63000574
4-[[(2,3-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 114147038
2-chloro-3-[(1H-indol-4-ylmethylamino)methyl]phenol
CID 167760392
1-[(1H-indol-4-ylmethylamino)methyl]cyclobutan-1-ol
CID 111114552
2-chloro-6-[[(4-hydroxycyclohexyl)methylamino]methyl]phenol
CID 114146992
N-(1H-indol-4-ylmethyl)-2-methylpropan-1-amine
CID 17221020
3-[(1H-indol-4-ylmethylamino)methyl]-2-methyloxolan-3-ol
CID 107268183

Frequently Asked Questions

What is the IUPAC name of 4-[(1H-indol-4-ylmethylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 4-[(1H-indol-4-ylmethylamino)methyl]cyclohexan-1-ol (CID 106125391) is 4-[(1H-indol-4-ylmethylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[(1H-indol-4-ylmethylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[(1H-indol-4-ylmethylamino)methyl]cyclohexan-1-ol is OC1CCC(CNCc2cccc3[nH]ccc23)CC1.
What is the InChIKey of 4-[(1H-indol-4-ylmethylamino)methyl]cyclohexan-1-ol?
The InChIKey is OQEXJMXISUWFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c19-14-6-4-12(5-7-14)10-17-11-13-2-1-3-16-15(13)8-9-18-16/h1-3,8-9,12,14,17-19H,4-7,10-11H2.
What are the key properties of 4-[(1H-indol-4-ylmethylamino)methyl]cyclohexan-1-ol?
4-[(1H-indol-4-ylmethylamino)methyl]cyclohexan-1-ol has a molecular weight of 258.37 g/mol, XLogP of 2.81, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1H-indol-4-ylmethylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 106125391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).