N-[[3-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethoxy]phenyl]methyl]morpholin-4-amine

C20H33N3O2 — CID 95194994

IUPACN-[[3-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethoxy]phenyl]methyl]morpholin-4-amine
SMILESC[C@H]1C[C@H](C)CN(CCOc2cccc(CNN3CCOCC3)c2)C1
InChIInChI=1S/C20H33N3O2/c1-17-12-18(2)16-22(15-17)6-11-25-20-5-3-4-19(13-20)14-21-23-7-9-24-10-8-23/h3-5,13,17-18,21H,6-12,14-16H2,1-2H3/t17-,18-/m0/s1
InChIKeyHWQVMCYYPUDTHD-ROUUACIJSA-N
MW347.50 g/mol
LogP2.38
Rot. Bonds7

About N-[[3-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethoxy]phenyl]methyl]morpholin-4-amine

N-[[3-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethoxy]phenyl]methyl]morpholin-4-amine (PubChem CID 95194994) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is N-[[3-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethoxy]phenyl]methyl]morpholin-4-amine.

Molecular Properties

Compound NameN-[[3-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethoxy]phenyl]methyl]morpholin-4-amine
PubChem CID95194994
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC NameN-[[3-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethoxy]phenyl]methyl]morpholin-4-amine
SMILESC[C@H]1C[C@H](C)CN(CCOc2cccc(CNN3CCOCC3)c2)C1
InChIInChI=1S/C20H33N3O2/c1-17-12-18(2)16-22(15-17)6-11-25-20-5-3-4-19(13-20)14-21-23-7-9-24-10-8-23/h3-5,13,17-18,21H,6-12,14-16H2,1-2H3/t17-,18-/m0/s1
InChIKeyHWQVMCYYPUDTHD-ROUUACIJSA-N
XLogP2.38
TPSA36.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]methyl]ethanamine
CID 62423065
[3-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]methanamine
CID 43253572
2-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]propan-1-amine
CID 39400901
[3-(2-morpholin-4-ylethoxy)phenyl]methanol
CID 7164622
(2R)-2-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]morpholine-4-carboxamide
CID 52512106
N-[[3-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 79178291
1-benzyl-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 47079982
4-[2-[3-[[(1S,5S)-3-azabicyclo[3.3.1]nonan-3-yl]methyl]phenoxy]ethyl]morpholine
CID 133117277
1,2-dimethyl-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine;hydroiodide
CID 110918710
N-[[3-[2-(2-methylmorpholin-4-yl)ethoxy]phenyl]methyl]propan-1-amine
CID 62438935
N-[[3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl]propan-1-amine
CID 62439724
N-[[3-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethoxy]phenyl]methyl]ethanamine
CID 66370228

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethoxy]phenyl]methyl]morpholin-4-amine?
The IUPAC name of N-[[3-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethoxy]phenyl]methyl]morpholin-4-amine (CID 95194994) is N-[[3-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethoxy]phenyl]methyl]morpholin-4-amine.
What is the SMILES notation for N-[[3-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethoxy]phenyl]methyl]morpholin-4-amine?
The canonical SMILES for N-[[3-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethoxy]phenyl]methyl]morpholin-4-amine is C[C@H]1C[C@H](C)CN(CCOc2cccc(CNN3CCOCC3)c2)C1.
What is the InChIKey of N-[[3-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethoxy]phenyl]methyl]morpholin-4-amine?
The InChIKey is HWQVMCYYPUDTHD-ROUUACIJSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-17-12-18(2)16-22(15-17)6-11-25-20-5-3-4-19(13-20)14-21-23-7-9-24-10-8-23/h3-5,13,17-18,21H,6-12,14-16H2,1-2H3/t17-,18-/m0/s1.
What are the key properties of N-[[3-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethoxy]phenyl]methyl]morpholin-4-amine?
N-[[3-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethoxy]phenyl]methyl]morpholin-4-amine has a molecular weight of 347.50 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethoxy]phenyl]methyl]morpholin-4-amine is sourced from PubChem (CID 95194994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).