trans-(1R,2R)-2-[2-[(4-methoxyphenyl)methyl]hydrazinyl]cyclohexan-1-ol

C14H22N2O2 — CID 173186747

IUPACtrans-(1R,2R)-2-[2-[(4-methoxyphenyl)methyl]hydrazinyl]cyclohexan-1-ol
SMILESCOc1ccc(CNN[C@@H]2CCCC[C@H]2O)cc1
InChIInChI=1S/C14H22N2O2/c1-18-12-8-6-11(7-9-12)10-15-16-13-4-2-3-5-14(13)17/h6-9,13-17H,2-5,10H2,1H3/t13-,14-/m1/s1
InChIKeyVQCGKVIIPQFWCL-ZIAGYGMSSA-N
MW250.34 g/mol
LogP1.59
Rot. Bonds5

About trans-(1R,2R)-2-[2-[(4-methoxyphenyl)methyl]hydrazinyl]cyclohexan-1-ol

trans-(1R,2R)-2-[2-[(4-methoxyphenyl)methyl]hydrazinyl]cyclohexan-1-ol (PubChem CID 173186747) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is trans-(1R,2R)-2-[2-[(4-methoxyphenyl)methyl]hydrazinyl]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[2-[(4-methoxyphenyl)methyl]hydrazinyl]cyclohexan-1-ol
PubChem CID173186747
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Nametrans-(1R,2R)-2-[2-[(4-methoxyphenyl)methyl]hydrazinyl]cyclohexan-1-ol
SMILESCOc1ccc(CNN[C@@H]2CCCC[C@H]2O)cc1
InChIInChI=1S/C14H22N2O2/c1-18-12-8-6-11(7-9-12)10-15-16-13-4-2-3-5-14(13)17/h6-9,13-17H,2-5,10H2,1H3/t13-,14-/m1/s1
InChIKeyVQCGKVIIPQFWCL-ZIAGYGMSSA-N
XLogP1.59
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cis-(1S,2R)-2-[(4-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 39345640
cis-(1R,2S)-2-[(4-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 93317511
trans-(1R,2R)-1-N,2-N-bis[(4-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 11314223
2-[[(4-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 64927668
2-N-[(4-methoxyphenyl)methyl]-1-N-methylcyclohexane-1,2-diamine
CID 167008714
trans-(1R,2R)-2-(4-methoxyanilino)cyclooctan-1-ol
CID 15891180
2-(4-methoxyphenyl)-N-[(1S,2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]cyclohexyl]acetamide
CID 1012646
2-[(4-methoxyphenyl)methyl]cyclohexan-1-ol
CID 13024939
N-[(4-methoxyphenyl)methyl]cycloheptanamine
CID 784052
N-[(1R,2R)-2-hydroxycyclohexyl]-3-(4-methoxyphenoxy)propanamide
CID 104927572
2-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]cyclohexan-1-ol
CID 81371394
2-[(2,4-dimethoxyphenyl)methylamino]cyclohexan-1-ol
CID 62365081

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[2-[(4-methoxyphenyl)methyl]hydrazinyl]cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[2-[(4-methoxyphenyl)methyl]hydrazinyl]cyclohexan-1-ol (CID 173186747) is trans-(1R,2R)-2-[2-[(4-methoxyphenyl)methyl]hydrazinyl]cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[2-[(4-methoxyphenyl)methyl]hydrazinyl]cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[2-[(4-methoxyphenyl)methyl]hydrazinyl]cyclohexan-1-ol is COc1ccc(CNN[C@@H]2CCCC[C@H]2O)cc1.
What is the InChIKey of trans-(1R,2R)-2-[2-[(4-methoxyphenyl)methyl]hydrazinyl]cyclohexan-1-ol?
The InChIKey is VQCGKVIIPQFWCL-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-18-12-8-6-11(7-9-12)10-15-16-13-4-2-3-5-14(13)17/h6-9,13-17H,2-5,10H2,1H3/t13-,14-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[2-[(4-methoxyphenyl)methyl]hydrazinyl]cyclohexan-1-ol?
trans-(1R,2R)-2-[2-[(4-methoxyphenyl)methyl]hydrazinyl]cyclohexan-1-ol has a molecular weight of 250.34 g/mol, XLogP of 1.59, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[2-[(4-methoxyphenyl)methyl]hydrazinyl]cyclohexan-1-ol is sourced from PubChem (CID 173186747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).