1-methyl-4-[(1-methylpiperidin-4-yl)oxymethyl]piperazine

C12H25N3O — CID 146180819

IUPAC1-methyl-4-[(1-methylpiperidin-4-yl)oxymethyl]piperazine
SMILESCN1CCC(OCN2CCN(C)CC2)CC1
InChIInChI=1S/C12H25N3O/c1-13-5-3-12(4-6-13)16-11-15-9-7-14(2)8-10-15/h12H,3-11H2,1-2H3
InChIKeyYMVLRMXWVZZIFT-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.30
Rot. Bonds3

About 1-methyl-4-[(1-methylpiperidin-4-yl)oxymethyl]piperazine

1-methyl-4-[(1-methylpiperidin-4-yl)oxymethyl]piperazine (PubChem CID 146180819) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-methyl-4-[(1-methylpiperidin-4-yl)oxymethyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[(1-methylpiperidin-4-yl)oxymethyl]piperazine
PubChem CID146180819
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name1-methyl-4-[(1-methylpiperidin-4-yl)oxymethyl]piperazine
SMILESCN1CCC(OCN2CCN(C)CC2)CC1
InChIInChI=1S/C12H25N3O/c1-13-5-3-12(4-6-13)16-11-15-9-7-14(2)8-10-15/h12H,3-11H2,1-2H3
InChIKeyYMVLRMXWVZZIFT-UHFFFAOYSA-N
XLogP0.30
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-4-[2-(1-methylpiperidin-4-yl)oxyethyl]piperazine
CID 156884985
4-butoxy-1-methylpiperidine;ethane
CID 143443948
1-methyl-4-[(1-propylpiperidin-4-yl)oxymethyl]piperidine
CID 155750999
3-(1-methylpiperidin-4-yl)oxypropanal
CID 87150334
1-(1-methylpiperidin-4-yl)oxybutan-2-one
CID 143481860
N-methyl-3-(1-methylpiperidin-4-yl)oxypropan-1-amine
CID 62442293
1-methyl-4-(propan-2-yloxymethyl)piperazine
CID 45099577
1-methyl-4-[2-(1-methylpiperidin-4-yl)ethyl]piperazine
CID 21129707
1,4,7-trimethyl-10-[2-(4,7,10-trimethyl-1,4,7,10-tetrazacyclododec-1-yl)ethyl]-1,4,7,10-tetrazacyclododecane
CID 21130153
1-methyl-4-(4-propoxypiperidin-1-yl)piperidine
CID 169029222
1-methyl-4-propoxyazonane
CID 134172223
4-[4-(1-methylpiperidin-4-yl)oxybutoxy]butan-1-ol
CID 175636399

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(1-methylpiperidin-4-yl)oxymethyl]piperazine?
The IUPAC name of 1-methyl-4-[(1-methylpiperidin-4-yl)oxymethyl]piperazine (CID 146180819) is 1-methyl-4-[(1-methylpiperidin-4-yl)oxymethyl]piperazine.
What is the SMILES notation for 1-methyl-4-[(1-methylpiperidin-4-yl)oxymethyl]piperazine?
The canonical SMILES for 1-methyl-4-[(1-methylpiperidin-4-yl)oxymethyl]piperazine is CN1CCC(OCN2CCN(C)CC2)CC1.
What is the InChIKey of 1-methyl-4-[(1-methylpiperidin-4-yl)oxymethyl]piperazine?
The InChIKey is YMVLRMXWVZZIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-13-5-3-12(4-6-13)16-11-15-9-7-14(2)8-10-15/h12H,3-11H2,1-2H3.
What are the key properties of 1-methyl-4-[(1-methylpiperidin-4-yl)oxymethyl]piperazine?
1-methyl-4-[(1-methylpiperidin-4-yl)oxymethyl]piperazine has a molecular weight of 227.35 g/mol, XLogP of 0.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(1-methylpiperidin-4-yl)oxymethyl]piperazine is sourced from PubChem (CID 146180819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).