(2R)-2-(methoxymethyl)-4-propan-2-yl-1-[(1-propan-2-ylazetidin-3-yl)methyl]piperazine

C16H33N3O — CID 176725359

IUPAC(2R)-2-(methoxymethyl)-4-propan-2-yl-1-[(1-propan-2-ylazetidin-3-yl)methyl]piperazine
SMILESCOC[C@H]1CN(C(C)C)CCN1CC1CN(C(C)C)C1
InChIInChI=1S/C16H33N3O/c1-13(2)17-6-7-18(16(11-17)12-20-5)8-15-9-19(10-15)14(3)4/h13-16H,6-12H2,1-5H3/t16-/m1/s1
InChIKeyJQCZORXHIPNLNQ-MRXNPFEDSA-N
MW283.46 g/mol
LogP1.37
Rot. Bonds6

About (2R)-2-(methoxymethyl)-4-propan-2-yl-1-[(1-propan-2-ylazetidin-3-yl)methyl]piperazine

(2R)-2-(methoxymethyl)-4-propan-2-yl-1-[(1-propan-2-ylazetidin-3-yl)methyl]piperazine (PubChem CID 176725359) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is (2R)-2-(methoxymethyl)-4-propan-2-yl-1-[(1-propan-2-ylazetidin-3-yl)methyl]piperazine.

Molecular Properties

Compound Name(2R)-2-(methoxymethyl)-4-propan-2-yl-1-[(1-propan-2-ylazetidin-3-yl)methyl]piperazine
PubChem CID176725359
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name(2R)-2-(methoxymethyl)-4-propan-2-yl-1-[(1-propan-2-ylazetidin-3-yl)methyl]piperazine
SMILESCOC[C@H]1CN(C(C)C)CCN1CC1CN(C(C)C)C1
InChIInChI=1S/C16H33N3O/c1-13(2)17-6-7-18(16(11-17)12-20-5)8-15-9-19(10-15)14(3)4/h13-16H,6-12H2,1-5H3/t16-/m1/s1
InChIKeyJQCZORXHIPNLNQ-MRXNPFEDSA-N
XLogP1.37
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R)-2-(methoxymethyl)-4-propan-2-yl-1-[(1-propan-2-ylazetidin-3-yl)methyl]piperazine with MolForge

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Related Compounds

(2S)-2-(methoxymethyl)-1-[(1-propan-2-ylazetidin-3-yl)methyl]-4-(4-propan-2-ylcyclohexyl)piperazine
CID 176796797
(2R)-2-(methoxymethyl)-4-propan-2-yl-1-(1-propan-2-ylazetidin-3-yl)piperazine
CID 176725105
(2S)-2-(methoxymethyl)-1,4-di(propan-2-yl)piperazine
CID 169016330
(2R)-4-propan-2-yl-1-[(1-propan-2-ylazetidin-3-yl)methyl]piperazin-2-amine
CID 170184838
(3S)-3-(methoxymethyl)-1-propan-2-ylpiperidine
CID 167395488
[(2S)-1-(azetidin-3-ylmethyl)-4-propan-2-ylpiperazin-2-yl]methanol
CID 170184837
methanol;3-(methoxymethyl)-1-propan-2-ylpiperidine
CID 172576332
3-(methoxymethyl)-1,4-di(propan-2-yl)piperidine
CID 171506094
(2S)-1-(cyclopropylmethyl)-2-(methoxymethyl)pyrrolidine
CID 142484052
(3R)-4-(cyclohexylmethyl)-3-(methoxymethyl)piperazine-1-carboxylic acid
CID 175485244
N,N-dimethyl-1-(1-propan-2-ylpiperidin-3-yl)methanamine;ethane;3-(methoxymethyl)-1-propan-2-ylpiperidine
CID 163258201
ethane;2-(methoxymethyl)-4-propan-2-ylmorpholine
CID 164585009

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(methoxymethyl)-4-propan-2-yl-1-[(1-propan-2-ylazetidin-3-yl)methyl]piperazine?
The IUPAC name of (2R)-2-(methoxymethyl)-4-propan-2-yl-1-[(1-propan-2-ylazetidin-3-yl)methyl]piperazine (CID 176725359) is (2R)-2-(methoxymethyl)-4-propan-2-yl-1-[(1-propan-2-ylazetidin-3-yl)methyl]piperazine.
What is the SMILES notation for (2R)-2-(methoxymethyl)-4-propan-2-yl-1-[(1-propan-2-ylazetidin-3-yl)methyl]piperazine?
The canonical SMILES for (2R)-2-(methoxymethyl)-4-propan-2-yl-1-[(1-propan-2-ylazetidin-3-yl)methyl]piperazine is COC[C@H]1CN(C(C)C)CCN1CC1CN(C(C)C)C1.
What is the InChIKey of (2R)-2-(methoxymethyl)-4-propan-2-yl-1-[(1-propan-2-ylazetidin-3-yl)methyl]piperazine?
The InChIKey is JQCZORXHIPNLNQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H33N3O/c1-13(2)17-6-7-18(16(11-17)12-20-5)8-15-9-19(10-15)14(3)4/h13-16H,6-12H2,1-5H3/t16-/m1/s1.
What are the key properties of (2R)-2-(methoxymethyl)-4-propan-2-yl-1-[(1-propan-2-ylazetidin-3-yl)methyl]piperazine?
(2R)-2-(methoxymethyl)-4-propan-2-yl-1-[(1-propan-2-ylazetidin-3-yl)methyl]piperazine has a molecular weight of 283.46 g/mol, XLogP of 1.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(methoxymethyl)-4-propan-2-yl-1-[(1-propan-2-ylazetidin-3-yl)methyl]piperazine is sourced from PubChem (CID 176725359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).