1-(2-methylbutyl)-4-[[1-(2-methylpropyl)piperidin-4-yl]oxymethyl]piperidine

C20H40N2O — CID 163400543

IUPAC1-(2-methylbutyl)-4-[[1-(2-methylpropyl)piperidin-4-yl]oxymethyl]piperidine
SMILESCCC(C)CN1CCC(COC2CCN(CC(C)C)CC2)CC1
InChIInChI=1S/C20H40N2O/c1-5-18(4)15-22-10-6-19(7-11-22)16-23-20-8-12-21(13-9-20)14-17(2)3/h17-20H,5-16H2,1-4H3
InChIKeyNSYGRAAQKWSKJI-UHFFFAOYSA-N
MW324.55 g/mol
LogP3.88
Rot. Bonds8

About 1-(2-methylbutyl)-4-[[1-(2-methylpropyl)piperidin-4-yl]oxymethyl]piperidine

1-(2-methylbutyl)-4-[[1-(2-methylpropyl)piperidin-4-yl]oxymethyl]piperidine (PubChem CID 163400543) has the molecular formula C20H40N2O and a molecular weight of 324.55 g/mol. Its IUPAC name is 1-(2-methylbutyl)-4-[[1-(2-methylpropyl)piperidin-4-yl]oxymethyl]piperidine.

Molecular Properties

Compound Name1-(2-methylbutyl)-4-[[1-(2-methylpropyl)piperidin-4-yl]oxymethyl]piperidine
PubChem CID163400543
Molecular FormulaC20H40N2O
Molecular Weight324.55 g/mol
Exact Mass324.31
IUPAC Name1-(2-methylbutyl)-4-[[1-(2-methylpropyl)piperidin-4-yl]oxymethyl]piperidine
SMILESCCC(C)CN1CCC(COC2CCN(CC(C)C)CC2)CC1
InChIInChI=1S/C20H40N2O/c1-5-18(4)15-22-10-6-19(7-11-22)16-23-20-8-12-21(13-9-20)14-17(2)3/h17-20H,5-16H2,1-4H3
InChIKeyNSYGRAAQKWSKJI-UHFFFAOYSA-N
XLogP3.88
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.55
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylpropyl)-4-[(1-propylpiperidin-4-yl)methoxy]piperidine
CID 167191940
1-methyl-4-[[1-(2-methylpropyl)piperidin-4-yl]oxymethyl]piperidine;propane
CID 163400134
4-(2,5-dimethylheptyl)-1-(2-methylpropyl)piperidine
CID 167107327
1-(2-methylbutyl)-4-(3-methylpentyl)piperidine
CID 166678927
3-(cyclopropylmethoxy)-1-(2-methylpropyl)azetidine
CID 174892843
1-methyl-4-[(1-propylpiperidin-4-yl)oxymethyl]piperidine
CID 155750999
1,3-bis[4-(cyclopentylmethoxy)piperidin-1-yl]propan-2-ol
CID 166234408
1-(2-cyclobutyloxyethyl)-4-(2-methylbutyl)piperazine
CID 156794849
4-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-(2-methylpropyl)piperidine
CID 166035331
4-(1-bromoethyl)-1-(2-methylbutyl)piperidine
CID 106838267
3-(2-methylbutyl)-9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane
CID 156860444
[1-(2-methylpropyl)piperidin-4-yl]methyl 3-methylbutanoate
CID 176612204

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbutyl)-4-[[1-(2-methylpropyl)piperidin-4-yl]oxymethyl]piperidine?
The IUPAC name of 1-(2-methylbutyl)-4-[[1-(2-methylpropyl)piperidin-4-yl]oxymethyl]piperidine (CID 163400543) is 1-(2-methylbutyl)-4-[[1-(2-methylpropyl)piperidin-4-yl]oxymethyl]piperidine.
What is the SMILES notation for 1-(2-methylbutyl)-4-[[1-(2-methylpropyl)piperidin-4-yl]oxymethyl]piperidine?
The canonical SMILES for 1-(2-methylbutyl)-4-[[1-(2-methylpropyl)piperidin-4-yl]oxymethyl]piperidine is CCC(C)CN1CCC(COC2CCN(CC(C)C)CC2)CC1.
What is the InChIKey of 1-(2-methylbutyl)-4-[[1-(2-methylpropyl)piperidin-4-yl]oxymethyl]piperidine?
The InChIKey is NSYGRAAQKWSKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2O/c1-5-18(4)15-22-10-6-19(7-11-22)16-23-20-8-12-21(13-9-20)14-17(2)3/h17-20H,5-16H2,1-4H3.
What are the key properties of 1-(2-methylbutyl)-4-[[1-(2-methylpropyl)piperidin-4-yl]oxymethyl]piperidine?
1-(2-methylbutyl)-4-[[1-(2-methylpropyl)piperidin-4-yl]oxymethyl]piperidine has a molecular weight of 324.55 g/mol, XLogP of 3.88, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutyl)-4-[[1-(2-methylpropyl)piperidin-4-yl]oxymethyl]piperidine is sourced from PubChem (CID 163400543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).