1-methyl-4-(2-methylpropyl)piperidine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine

C25H54N4 — CID 157375211

IUPAC1-methyl-4-(2-methylpropyl)piperidine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine
SMILESCC(C)CC1CCN(C)CC1.CC(C)N1CCCC1.CC(C)N1CCN(C)CC1
InChIInChI=1S/C10H21N.C8H18N2.C7H15N/c1-9(2)8-10-4-6-11(3)7-5-10;1-8(2)10-6-4-9(3)5-7-10;1-7(2)8-5-3-4-6-8/h9-10H,4-8H2,1-3H3;8H,4-7H2,1-3H3;7H,3-6H2,1-2H3
InChIKeyBKGAXSMURJDEPO-UHFFFAOYSA-N
MW410.74 g/mol
LogP4.51
Rot. Bonds4

About 1-methyl-4-(2-methylpropyl)piperidine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine

1-methyl-4-(2-methylpropyl)piperidine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine (PubChem CID 157375211) has the molecular formula C25H54N4 and a molecular weight of 410.74 g/mol. Its IUPAC name is 1-methyl-4-(2-methylpropyl)piperidine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name1-methyl-4-(2-methylpropyl)piperidine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine
PubChem CID157375211
Molecular FormulaC25H54N4
Molecular Weight410.74 g/mol
Exact Mass410.43
IUPAC Name1-methyl-4-(2-methylpropyl)piperidine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine
SMILESCC(C)CC1CCN(C)CC1.CC(C)N1CCCC1.CC(C)N1CCN(C)CC1
InChIInChI=1S/C10H21N.C8H18N2.C7H15N/c1-9(2)8-10-4-6-11(3)7-5-10;1-8(2)10-6-4-9(3)5-7-10;1-7(2)8-5-3-4-6-8/h9-10H,4-8H2,1-3H3;8H,4-7H2,1-3H3;7H,3-6H2,1-2H3
InChIKeyBKGAXSMURJDEPO-UHFFFAOYSA-N
XLogP4.51
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.74
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-8-[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]-2,8-diazaspiro[4.5]decane
CID 171359115
1-Tert-butyl-4-[[2-[2-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]-2-methylpropyl]cyclopropyl]methyl]piperazine
CID 146369228
1'-Ethyl-3-(1-pyrrolidinylmethyl)-1,4'-bipiperidine
CID 45929901
1-[3-(2,4-Dimethylpiperidin-1-yl)propyl]-2,4-dimethylpiperidine
CID 13794407
2-Methyl-1-[2-methyl-5-(2-methylpiperidin-1-yl)pentyl]piperidine
CID 21465774
4-Butyl-1-(2-piperidin-1-ylethyl)piperidine
CID 22970102
1-Ethyl-4-[4-(1-methylpiperidin-4-yl)butyl]piperazine
CID 23498113
1-[4-(1-Ethylpiperidin-4-yl)butyl]-4-methylpiperazine
CID 23498118
1,2,2-Triethyl-3-piperidin-1-ylpiperidine
CID 24748226
1-[3-(1-Ethylpyrrolidin-2-yl)pentan-3-yl]piperidine
CID 57922384
1-Propan-2-yl-4-[2-(1-propan-2-ylpyrrolidin-3-yl)ethyl]piperazine
CID 58904687
1-Propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine
CID 58904698

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-methylpropyl)piperidine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine?
The IUPAC name of 1-methyl-4-(2-methylpropyl)piperidine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine (CID 157375211) is 1-methyl-4-(2-methylpropyl)piperidine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine.
What is the SMILES notation for 1-methyl-4-(2-methylpropyl)piperidine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine?
The canonical SMILES for 1-methyl-4-(2-methylpropyl)piperidine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine is CC(C)CC1CCN(C)CC1.CC(C)N1CCCC1.CC(C)N1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-(2-methylpropyl)piperidine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine?
The InChIKey is BKGAXSMURJDEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N.C8H18N2.C7H15N/c1-9(2)8-10-4-6-11(3)7-5-10;1-8(2)10-6-4-9(3)5-7-10;1-7(2)8-5-3-4-6-8/h9-10H,4-8H2,1-3H3;8H,4-7H2,1-3H3;7H,3-6H2,1-2H3.
What are the key properties of 1-methyl-4-(2-methylpropyl)piperidine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine?
1-methyl-4-(2-methylpropyl)piperidine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine has a molecular weight of 410.74 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-methylpropyl)piperidine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine is sourced from PubChem (CID 157375211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).