[4-methoxy-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]piperidin-2-yl]methanamine

C16H33N3O2 — CID 115963627

IUPAC[4-methoxy-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]piperidin-2-yl]methanamine
SMILESCOC1CCN(CC2CN(CC(C)C)CCO2)C(CN)C1
InChIInChI=1S/C16H33N3O2/c1-13(2)10-18-6-7-21-16(11-18)12-19-5-4-15(20-3)8-14(19)9-17/h13-16H,4-12,17H2,1-3H3
InChIKeyNGFAGJBBJAOFSG-UHFFFAOYSA-N
MW299.46 g/mol
LogP0.78
Rot. Bonds6

About [4-methoxy-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]piperidin-2-yl]methanamine

[4-methoxy-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]piperidin-2-yl]methanamine (PubChem CID 115963627) has the molecular formula C16H33N3O2 and a molecular weight of 299.46 g/mol. Its IUPAC name is [4-methoxy-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-methoxy-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]piperidin-2-yl]methanamine
PubChem CID115963627
Molecular FormulaC16H33N3O2
Molecular Weight299.46 g/mol
Exact Mass299.26
IUPAC Name[4-methoxy-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]piperidin-2-yl]methanamine
SMILESCOC1CCN(CC2CN(CC(C)C)CCO2)C(CN)C1
InChIInChI=1S/C16H33N3O2/c1-13(2)10-18-6-7-21-16(11-18)12-19-5-4-15(20-3)8-14(19)9-17/h13-16H,4-12,17H2,1-3H3
InChIKeyNGFAGJBBJAOFSG-UHFFFAOYSA-N
XLogP0.78
TPSA50.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-methyl-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]piperazin-2-yl]methanamine
CID 80506904
[4-[[4-(2-methylpropyl)morpholin-2-yl]methyl]morpholin-2-yl]methanamine
CID 114398613
1-[1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]piperidin-4-yl]ethanamine
CID 63595361
2-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]propan-1-amine
CID 66218624
[4-(2-methylpropyl)-1,4-oxazepan-2-yl]methanamine
CID 131115606
5-methyl-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]piperidin-3-amine
CID 79992878
2-[(3,5-dimethylpiperazin-1-yl)methyl]-4-(2-methylpropyl)morpholine
CID 63871997
(2S)-2-(3-methylbutyl)-4-(2-methylpropyl)morpholine
CID 161175783
N,N-dimethyl-1-[4-(2-methylpropyl)morpholin-2-yl]methanamine
CID 123749859
(4-methoxy-1-nonylpiperidin-2-yl)methanamine
CID 112622577
methyl 4-methyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]pentanoate
CID 60693583
[4-(2-methylpropyl)morpholin-2-yl]methyl cyclobutanecarboxylate
CID 78832861

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]piperidin-2-yl]methanamine?
The IUPAC name of [4-methoxy-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]piperidin-2-yl]methanamine (CID 115963627) is [4-methoxy-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]piperidin-2-yl]methanamine.
What is the SMILES notation for [4-methoxy-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]piperidin-2-yl]methanamine?
The canonical SMILES for [4-methoxy-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]piperidin-2-yl]methanamine is COC1CCN(CC2CN(CC(C)C)CCO2)C(CN)C1.
What is the InChIKey of [4-methoxy-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]piperidin-2-yl]methanamine?
The InChIKey is NGFAGJBBJAOFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O2/c1-13(2)10-18-6-7-21-16(11-18)12-19-5-4-15(20-3)8-14(19)9-17/h13-16H,4-12,17H2,1-3H3.
What are the key properties of [4-methoxy-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]piperidin-2-yl]methanamine?
[4-methoxy-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]piperidin-2-yl]methanamine has a molecular weight of 299.46 g/mol, XLogP of 0.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]piperidin-2-yl]methanamine is sourced from PubChem (CID 115963627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).