4-[1-(methoxyamino)ethenyl]-2-[[1-[4-(2-methoxyethoxy)-1-methylcyclohexyl]piperidin-4-yl]amino]phenol

C24H39N3O4 — CID 91050021

IUPAC4-[1-(methoxyamino)ethenyl]-2-[[1-[4-(2-methoxyethoxy)-1-methylcyclohexyl]piperidin-4-yl]amino]phenol
SMILESC=C(NOC)c1ccc(O)c(NC2CCN(C3(C)CCC(OCCOC)CC3)CC2)c1
InChIInChI=1S/C24H39N3O4/c1-18(26-30-4)19-5-6-23(28)22(17-19)25-20-9-13-27(14-10-20)24(2)11-7-21(8-12-24)31-16-15-29-3/h5-6,17,20-21,25-26,28H,1,7-16H2,2-4H3
InChIKeyLYWVIWQYNNZKNR-UHFFFAOYSA-N
MW433.59 g/mol
LogP3.75
Rot. Bonds10

About 4-[1-(methoxyamino)ethenyl]-2-[[1-[4-(2-methoxyethoxy)-1-methylcyclohexyl]piperidin-4-yl]amino]phenol

4-[1-(methoxyamino)ethenyl]-2-[[1-[4-(2-methoxyethoxy)-1-methylcyclohexyl]piperidin-4-yl]amino]phenol (PubChem CID 91050021) has the molecular formula C24H39N3O4 and a molecular weight of 433.59 g/mol. Its IUPAC name is 4-[1-(methoxyamino)ethenyl]-2-[[1-[4-(2-methoxyethoxy)-1-methylcyclohexyl]piperidin-4-yl]amino]phenol.

Molecular Properties

Compound Name4-[1-(methoxyamino)ethenyl]-2-[[1-[4-(2-methoxyethoxy)-1-methylcyclohexyl]piperidin-4-yl]amino]phenol
PubChem CID91050021
Molecular FormulaC24H39N3O4
Molecular Weight433.59 g/mol
Exact Mass433.29
IUPAC Name4-[1-(methoxyamino)ethenyl]-2-[[1-[4-(2-methoxyethoxy)-1-methylcyclohexyl]piperidin-4-yl]amino]phenol
SMILESC=C(NOC)c1ccc(O)c(NC2CCN(C3(C)CCC(OCCOC)CC3)CC2)c1
InChIInChI=1S/C24H39N3O4/c1-18(26-30-4)19-5-6-23(28)22(17-19)25-20-9-13-27(14-10-20)24(2)11-7-21(8-12-24)31-16-15-29-3/h5-6,17,20-21,25-26,28H,1,7-16H2,2-4H3
InChIKeyLYWVIWQYNNZKNR-UHFFFAOYSA-N
XLogP3.75
TPSA75.22 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.59
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[[1-(1-methyl-4-propoxycyclohexyl)piperidin-4-yl]amino]-4-methylsulfonylphenol
CID 59444154
2-[[1-(1-methylcyclohexyl)piperidin-4-yl]amino]phenol
CID 70862184
2-[[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]amino]-6-fluoro-4-methylphenol
CID 59444092
1-N-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-3-fluorobenzene-1,2-diamine
CID 67344064
3-[2-[[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]amino]-4-methylphenyl]propanoic acid
CID 59444177
3-[1-[4-(2-methoxyethoxy)-1-methylcyclohexyl]piperidin-4-yl]-5-methyl-1,3-benzoxazol-2-one
CID 25230693
[1-(1-methyl-4-propoxycyclohexyl)piperidin-4-yl]carbamic acid
CID 68702231
1-N-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-4-fluoro-5-methylbenzene-1,2-diamine
CID 59419710
N-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-6-methoxy-3-nitropyridin-2-amine
CID 71053746
[1-(4-methoxy-1-methylcyclohexyl)piperidin-4-yl]carbamic acid
CID 66741936
4-amino-N-methyl-3-[(1-methylpiperidin-4-yl)amino]benzamide
CID 63357031
[4-(2-methoxyethoxy)-1-methylcyclohexyl] 2-methylprop-2-enoate
CID 135225189

Frequently Asked Questions

What is the IUPAC name of 4-[1-(methoxyamino)ethenyl]-2-[[1-[4-(2-methoxyethoxy)-1-methylcyclohexyl]piperidin-4-yl]amino]phenol?
The IUPAC name of 4-[1-(methoxyamino)ethenyl]-2-[[1-[4-(2-methoxyethoxy)-1-methylcyclohexyl]piperidin-4-yl]amino]phenol (CID 91050021) is 4-[1-(methoxyamino)ethenyl]-2-[[1-[4-(2-methoxyethoxy)-1-methylcyclohexyl]piperidin-4-yl]amino]phenol.
What is the SMILES notation for 4-[1-(methoxyamino)ethenyl]-2-[[1-[4-(2-methoxyethoxy)-1-methylcyclohexyl]piperidin-4-yl]amino]phenol?
The canonical SMILES for 4-[1-(methoxyamino)ethenyl]-2-[[1-[4-(2-methoxyethoxy)-1-methylcyclohexyl]piperidin-4-yl]amino]phenol is C=C(NOC)c1ccc(O)c(NC2CCN(C3(C)CCC(OCCOC)CC3)CC2)c1.
What is the InChIKey of 4-[1-(methoxyamino)ethenyl]-2-[[1-[4-(2-methoxyethoxy)-1-methylcyclohexyl]piperidin-4-yl]amino]phenol?
The InChIKey is LYWVIWQYNNZKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N3O4/c1-18(26-30-4)19-5-6-23(28)22(17-19)25-20-9-13-27(14-10-20)24(2)11-7-21(8-12-24)31-16-15-29-3/h5-6,17,20-21,25-26,28H,1,7-16H2,2-4H3.
What are the key properties of 4-[1-(methoxyamino)ethenyl]-2-[[1-[4-(2-methoxyethoxy)-1-methylcyclohexyl]piperidin-4-yl]amino]phenol?
4-[1-(methoxyamino)ethenyl]-2-[[1-[4-(2-methoxyethoxy)-1-methylcyclohexyl]piperidin-4-yl]amino]phenol has a molecular weight of 433.59 g/mol, XLogP of 3.75, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(methoxyamino)ethenyl]-2-[[1-[4-(2-methoxyethoxy)-1-methylcyclohexyl]piperidin-4-yl]amino]phenol is sourced from PubChem (CID 91050021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).