(2S)-2-(methoxymethyl)-1,4-di(propan-2-yl)piperazine

C12H26N2O — CID 169016330

IUPAC(2S)-2-(methoxymethyl)-1,4-di(propan-2-yl)piperazine
SMILESCOC[C@@H]1CN(C(C)C)CCN1C(C)C
InChIInChI=1S/C12H26N2O/c1-10(2)13-6-7-14(11(3)4)12(8-13)9-15-5/h10-12H,6-9H2,1-5H3/t12-/m0/s1
InChIKeyHVWQOZCCDYFJJL-LBPRGKRZSA-N
MW214.35 g/mol
LogP1.44
Rot. Bonds4

About (2S)-2-(methoxymethyl)-1,4-di(propan-2-yl)piperazine

(2S)-2-(methoxymethyl)-1,4-di(propan-2-yl)piperazine (PubChem CID 169016330) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is (2S)-2-(methoxymethyl)-1,4-di(propan-2-yl)piperazine.

Molecular Properties

Compound Name(2S)-2-(methoxymethyl)-1,4-di(propan-2-yl)piperazine
PubChem CID169016330
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name(2S)-2-(methoxymethyl)-1,4-di(propan-2-yl)piperazine
SMILESCOC[C@@H]1CN(C(C)C)CCN1C(C)C
InChIInChI=1S/C12H26N2O/c1-10(2)13-6-7-14(11(3)4)12(8-13)9-15-5/h10-12H,6-9H2,1-5H3/t12-/m0/s1
InChIKeyHVWQOZCCDYFJJL-LBPRGKRZSA-N
XLogP1.44
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(methoxymethyl)-4-propan-2-yl-1-(1-propan-2-ylazetidin-3-yl)piperazine
CID 176725105
(2R)-2-(methoxymethyl)-4-propan-2-yl-1-[(1-propan-2-ylazetidin-3-yl)methyl]piperazine
CID 176725359
2-(methoxymethyl)-4-methyl-1-propan-2-ylpyrrolidine
CID 89385775
(3S)-3-(methoxymethyl)-1-propan-2-ylpiperidine
CID 167395488
(2R)-2-ethyl-1,4-di(propan-2-yl)-1,4-diazepane
CID 153291285
1,2,4-tri(propan-2-yl)piperazine
CID 58977477
ethane;2-(methoxymethyl)-4-propan-2-ylmorpholine
CID 164585009
methanol;3-(methoxymethyl)-1-propan-2-ylpiperidine
CID 172576332
3-(methoxymethyl)-1,4-di(propan-2-yl)piperidine
CID 171506094
(2R)-4-(methoxymethyl)-2-methyl-1-propan-2-ylpyrrolidine
CID 89094421
3,4-dimethoxy-1-propan-2-ylpiperidine
CID 126655674
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 (2S)-2-(methoxymethyl)-1,4-di(propan-2-yl)piperazine?
The IUPAC name of (2S)-2-(methoxymethyl)-1,4-di(propan-2-yl)piperazine (CID 169016330) is (2S)-2-(methoxymethyl)-1,4-di(propan-2-yl)piperazine.
What is the SMILES notation for (2S)-2-(methoxymethyl)-1,4-di(propan-2-yl)piperazine?
The canonical SMILES for (2S)-2-(methoxymethyl)-1,4-di(propan-2-yl)piperazine is COC[C@@H]1CN(C(C)C)CCN1C(C)C.
What is the InChIKey of (2S)-2-(methoxymethyl)-1,4-di(propan-2-yl)piperazine?
The InChIKey is HVWQOZCCDYFJJL-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H26N2O/c1-10(2)13-6-7-14(11(3)4)12(8-13)9-15-5/h10-12H,6-9H2,1-5H3/t12-/m0/s1.
What are the key properties of (2S)-2-(methoxymethyl)-1,4-di(propan-2-yl)piperazine?
(2S)-2-(methoxymethyl)-1,4-di(propan-2-yl)piperazine has a molecular weight of 214.35 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methoxymethyl)-1,4-di(propan-2-yl)piperazine is sourced from PubChem (CID 169016330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).