4-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]cyclohexan-1-ol;hydrochloride

C15H22ClNO4 — CID 56827806

IUPAC4-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]cyclohexan-1-ol;hydrochloride
SMILESCOc1cc(CNC2CCC(O)CC2)cc2c1OCO2.Cl
InChIInChI=1S/C15H21NO4.ClH/c1-18-13-6-10(7-14-15(13)20-9-19-14)8-16-11-2-4-12(17)5-3-11;/h6-7,11-12,16-17H,2-5,8-9H2,1H3;1H
InChIKeyGVXLCMSHKZLGTC-UHFFFAOYSA-N
MW315.80 g/mol
LogP2.24
Rot. Bonds4

About 4-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]cyclohexan-1-ol;hydrochloride

4-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]cyclohexan-1-ol;hydrochloride (PubChem CID 56827806) has the molecular formula C15H22ClNO4 and a molecular weight of 315.80 g/mol. Its IUPAC name is 4-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]cyclohexan-1-ol;hydrochloride.

Molecular Properties

Compound Name4-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]cyclohexan-1-ol;hydrochloride
PubChem CID56827806
Molecular FormulaC15H22ClNO4
Molecular Weight315.80 g/mol
Exact Mass315.12
IUPAC Name4-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]cyclohexan-1-ol;hydrochloride
SMILESCOc1cc(CNC2CCC(O)CC2)cc2c1OCO2.Cl
InChIInChI=1S/C15H21NO4.ClH/c1-18-13-6-10(7-14-15(13)20-9-19-14)8-16-11-2-4-12(17)5-3-11;/h6-7,11-12,16-17H,2-5,8-9H2,1H3;1H
InChIKeyGVXLCMSHKZLGTC-UHFFFAOYSA-N
XLogP2.24
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]cyclohexan-1-ol;hydrochloride with MolForge

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Related Compounds

N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-methylcyclohexan-1-amine
CID 103653357
4-ethyl-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]cyclohexan-1-amine
CID 115584764
4-[[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]methyl]cyclohexan-1-ol
CID 106124710
N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 115642853
N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-(2-methylprop-2-enyl)piperidin-4-amine
CID 119124428
cyclopropyl-[4-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]piperidin-1-yl]methanone
CID 56808723
3-ethylsulfanyl-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]cyclopentan-1-amine
CID 103702421
cis-(1R,2S)-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2-methylcyclopropan-1-amine
CID 124542831
N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]cyclooctanamine
CID 60590073
2-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]ethanol
CID 115572492
N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-methylbut-2-en-1-amine
CID 103528019
N,N'-bis[(7-methoxy-1,3-benzodioxol-5-yl)methyl]propane-1,3-diamine
CID 134686709

Frequently Asked Questions

What is the IUPAC name of 4-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]cyclohexan-1-ol;hydrochloride?
The IUPAC name of 4-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]cyclohexan-1-ol;hydrochloride (CID 56827806) is 4-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]cyclohexan-1-ol;hydrochloride.
What is the SMILES notation for 4-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]cyclohexan-1-ol;hydrochloride?
The canonical SMILES for 4-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]cyclohexan-1-ol;hydrochloride is COc1cc(CNC2CCC(O)CC2)cc2c1OCO2.Cl.
What is the InChIKey of 4-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]cyclohexan-1-ol;hydrochloride?
The InChIKey is GVXLCMSHKZLGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4.ClH/c1-18-13-6-10(7-14-15(13)20-9-19-14)8-16-11-2-4-12(17)5-3-11;/h6-7,11-12,16-17H,2-5,8-9H2,1H3;1H.
What are the key properties of 4-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]cyclohexan-1-ol;hydrochloride?
4-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]cyclohexan-1-ol;hydrochloride has a molecular weight of 315.80 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]cyclohexan-1-ol;hydrochloride is sourced from PubChem (CID 56827806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).