N-[(4-methoxyphenyl)methyl]-2,2,6,6-tetramethyl-N-(oxolan-3-ylmethyl)piperidin-4-amine

C22H36N2O2 — CID 46962663

IUPACN-[(4-methoxyphenyl)methyl]-2,2,6,6-tetramethyl-N-(oxolan-3-ylmethyl)piperidin-4-amine
SMILESCOc1ccc(CN(CC2CCOC2)C2CC(C)(C)NC(C)(C)C2)cc1
InChIInChI=1S/C22H36N2O2/c1-21(2)12-19(13-22(3,4)23-21)24(15-18-10-11-26-16-18)14-17-6-8-20(25-5)9-7-17/h6-9,18-19,23H,10-16H2,1-5H3
InChIKeyHHNZGVTXKLEKBJ-UHFFFAOYSA-N
MW360.54 g/mol
LogP3.84
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-2,2,6,6-tetramethyl-N-(oxolan-3-ylmethyl)piperidin-4-amine

N-[(4-methoxyphenyl)methyl]-2,2,6,6-tetramethyl-N-(oxolan-3-ylmethyl)piperidin-4-amine (PubChem CID 46962663) has the molecular formula C22H36N2O2 and a molecular weight of 360.54 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2,2,6,6-tetramethyl-N-(oxolan-3-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2,2,6,6-tetramethyl-N-(oxolan-3-ylmethyl)piperidin-4-amine
PubChem CID46962663
Molecular FormulaC22H36N2O2
Molecular Weight360.54 g/mol
Exact Mass360.28
IUPAC NameN-[(4-methoxyphenyl)methyl]-2,2,6,6-tetramethyl-N-(oxolan-3-ylmethyl)piperidin-4-amine
SMILESCOc1ccc(CN(CC2CCOC2)C2CC(C)(C)NC(C)(C)C2)cc1
InChIInChI=1S/C22H36N2O2/c1-21(2)12-19(13-22(3,4)23-21)24(15-18-10-11-26-16-18)14-17-6-8-20(25-5)9-7-17/h6-9,18-19,23H,10-16H2,1-5H3
InChIKeyHHNZGVTXKLEKBJ-UHFFFAOYSA-N
XLogP3.84
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.54
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-methoxyphenyl)methyl]-2,2,6,6-tetramethyl-N-(oxolan-3-ylmethyl)piperidin-4-amine with MolForge

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Related Compounds

5-[[(4-methoxyphenyl)methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]-N,N-dimethylpyrimidin-2-amine
CID 46962664
2-hydroxypropane-1,2,3-tricarboxylic acid;2,2,6,6-tetramethyl-N-(oxolan-3-ylmethyl)-N-(pyridin-3-ylmethyl)piperidin-4-amine
CID 171700562
N-(1H-indol-5-ylmethyl)-N-[[(3R)-oxolan-3-yl]methyl]cyclopropanamine
CID 124758127
N-[[4-(4-methylphenyl)sulfonylphenyl]methyl]-N-[[(3R)-oxolan-3-yl]methyl]cyclopropanamine
CID 51964622
3-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxan-4-ol
CID 103061404
N-(cyclohexylmethyl)-N-[(4-methoxyphenyl)methyl]pyrrolidin-3-amine
CID 69062995
N-[[4-[[hydroxy-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]phenyl]methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)hydroxylamine
CID 22902695
2-[4-[[cyclopropyl(oxolan-3-ylmethyl)amino]methyl]phenyl]benzonitrile
CID 87017036
N-(cyclohexylmethyl)-N-[(4-methoxyphenyl)methyl]-1,1-dioxothiolan-3-amine
CID 55446420
3-[3-(4-methoxyphenyl)propyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine
CID 109383846
3-ethyl-2-[2-(4-methoxyphenyl)ethyl]-1-methyl-1-(oxolan-3-ylmethyl)guanidine
CID 109382158
N-ethyl-N-[(4-methoxyphenyl)methyl]cyclohexanamine
CID 112818440

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2,2,6,6-tetramethyl-N-(oxolan-3-ylmethyl)piperidin-4-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2,2,6,6-tetramethyl-N-(oxolan-3-ylmethyl)piperidin-4-amine (CID 46962663) is N-[(4-methoxyphenyl)methyl]-2,2,6,6-tetramethyl-N-(oxolan-3-ylmethyl)piperidin-4-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2,2,6,6-tetramethyl-N-(oxolan-3-ylmethyl)piperidin-4-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2,2,6,6-tetramethyl-N-(oxolan-3-ylmethyl)piperidin-4-amine is COc1ccc(CN(CC2CCOC2)C2CC(C)(C)NC(C)(C)C2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2,2,6,6-tetramethyl-N-(oxolan-3-ylmethyl)piperidin-4-amine?
The InChIKey is HHNZGVTXKLEKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O2/c1-21(2)12-19(13-22(3,4)23-21)24(15-18-10-11-26-16-18)14-17-6-8-20(25-5)9-7-17/h6-9,18-19,23H,10-16H2,1-5H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-2,2,6,6-tetramethyl-N-(oxolan-3-ylmethyl)piperidin-4-amine?
N-[(4-methoxyphenyl)methyl]-2,2,6,6-tetramethyl-N-(oxolan-3-ylmethyl)piperidin-4-amine has a molecular weight of 360.54 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2,2,6,6-tetramethyl-N-(oxolan-3-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 46962663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).