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

C15H31N3O — CID 176725105

IUPAC(2R)-2-(methoxymethyl)-4-propan-2-yl-1-(1-propan-2-ylazetidin-3-yl)piperazine
SMILESCOC[C@H]1CN(C(C)C)CCN1C1CN(C(C)C)C1
InChIInChI=1S/C15H31N3O/c1-12(2)16-6-7-18(15(10-16)11-19-5)14-8-17(9-14)13(3)4/h12-15H,6-11H2,1-5H3/t15-/m1/s1
InChIKeyZIYBSQVCRGRFDD-OAHLLOKOSA-N
MW269.43 g/mol
LogP1.12
Rot. Bonds5

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

(2R)-2-(methoxymethyl)-4-propan-2-yl-1-(1-propan-2-ylazetidin-3-yl)piperazine (PubChem CID 176725105) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is (2R)-2-(methoxymethyl)-4-propan-2-yl-1-(1-propan-2-ylazetidin-3-yl)piperazine.

Molecular Properties

Compound Name(2R)-2-(methoxymethyl)-4-propan-2-yl-1-(1-propan-2-ylazetidin-3-yl)piperazine
PubChem CID176725105
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name(2R)-2-(methoxymethyl)-4-propan-2-yl-1-(1-propan-2-ylazetidin-3-yl)piperazine
SMILESCOC[C@H]1CN(C(C)C)CCN1C1CN(C(C)C)C1
InChIInChI=1S/C15H31N3O/c1-12(2)16-6-7-18(15(10-16)11-19-5)14-8-17(9-14)13(3)4/h12-15H,6-11H2,1-5H3/t15-/m1/s1
InChIKeyZIYBSQVCRGRFDD-OAHLLOKOSA-N
XLogP1.12
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(methoxymethyl)-4-propan-2-yl-1-[(1-propan-2-ylazetidin-3-yl)methyl]piperazine
CID 176725359
(2S)-2-(methoxymethyl)-1,4-di(propan-2-yl)piperazine
CID 169016330
[(3S)-3-(methoxymethyl)-4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]-(1-propan-2-ylazetidin-3-yl)methanone
CID 176796970
[(3R)-3-(methoxymethyl)-4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]-(1-propan-2-ylazetidin-3-yl)methanone
CID 176796835
(3S)-3-(methoxymethyl)-1-propan-2-ylpiperidine
CID 167395488
[(3S)-3-(methoxymethyl)-4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]-[(3S)-1-propan-2-ylpyrrolidin-3-yl]methanone
CID 176796823
methanol;3-(methoxymethyl)-1-propan-2-ylpiperidine
CID 172576332
ethane;2-(methoxymethyl)-4-propan-2-ylmorpholine
CID 164585009
4-methoxy-3,5-dimethyl-1-propan-2-ylpiperidine
CID 118444678
3-(methoxymethyl)-1,4-di(propan-2-yl)piperidine
CID 171506094
(2S)-2-(methoxymethyl)-1-[(1-propan-2-ylazetidin-3-yl)methyl]-4-(4-propan-2-ylcyclohexyl)piperazine
CID 176796797
N,N-dimethyl-1-(1-propan-2-ylpiperidin-3-yl)methanamine;ethane;3-(methoxymethyl)-1-propan-2-ylpiperidine
CID 163258201

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(methoxymethyl)-4-propan-2-yl-1-(1-propan-2-ylazetidin-3-yl)piperazine?
The IUPAC name of (2R)-2-(methoxymethyl)-4-propan-2-yl-1-(1-propan-2-ylazetidin-3-yl)piperazine (CID 176725105) is (2R)-2-(methoxymethyl)-4-propan-2-yl-1-(1-propan-2-ylazetidin-3-yl)piperazine.
What is the SMILES notation for (2R)-2-(methoxymethyl)-4-propan-2-yl-1-(1-propan-2-ylazetidin-3-yl)piperazine?
The canonical SMILES for (2R)-2-(methoxymethyl)-4-propan-2-yl-1-(1-propan-2-ylazetidin-3-yl)piperazine is COC[C@H]1CN(C(C)C)CCN1C1CN(C(C)C)C1.
What is the InChIKey of (2R)-2-(methoxymethyl)-4-propan-2-yl-1-(1-propan-2-ylazetidin-3-yl)piperazine?
The InChIKey is ZIYBSQVCRGRFDD-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H31N3O/c1-12(2)16-6-7-18(15(10-16)11-19-5)14-8-17(9-14)13(3)4/h12-15H,6-11H2,1-5H3/t15-/m1/s1.
What are the key properties of (2R)-2-(methoxymethyl)-4-propan-2-yl-1-(1-propan-2-ylazetidin-3-yl)piperazine?
(2R)-2-(methoxymethyl)-4-propan-2-yl-1-(1-propan-2-ylazetidin-3-yl)piperazine has a molecular weight of 269.43 g/mol, XLogP of 1.12, 5 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)piperazine is sourced from PubChem (CID 176725105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).