tris(1,4-dimethylpiperidine);(3S)-1,3-dimethylpiperidine;bis(4-ethyl-1-methylpiperidine);1-methylpiperidin-3-ol;1-methyl-4-propylpiperazine;1-methyl-4-propylpiperidine;1-methyl-4-pyrrolidin-1-ylpiperidine

C77H164N12O — CID 159745660

IUPACtris(1,4-dimethylpiperidine);(3S)-1,3-dimethylpiperidine;bis(4-ethyl-1-methylpiperidine);1-methylpiperidin-3-ol;1-methyl-4-propylpiperazine;1-methyl-4-propylpiperidine;1-methyl-4-pyrrolidin-1-ylpiperidine
SMILESCC1CCN(C)CC1.CC1CCN(C)CC1.CC1CCN(C)CC1.CCC1CCN(C)CC1.CCC1CCN(C)CC1.CCCC1CCN(C)CC1.CCCN1CCN(C)CC1.CN1CCC(N2CCCC2)CC1.CN1CCCC(O)C1.C[C@H]1CCCN(C)C1
InChIInChI=1S/C10H20N2.C9H19N.C8H18N2.2C8H17N.4C7H15N.C6H13NO/c1-11-8-4-10(5-9-11)12-6-2-3-7-12;1-3-4-9-5-7-10(2)8-6-9;1-3-4-10-7-5-9(2)6-8-10;2*1-3-8-4-6-9(2)7-5-8;3*1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-4-2-3-6(8)5-7/h10H,2-9H2,1H3;9H,3-8H2,1-2H3;3-8H2,1-2H3;2*8H,3-7H2,1-2H3;4*7H,3-6H2,1-2H3;6,8H,2-5H2,1H3/t;;;;;;;;7-;/m........0./s1
InChIKeyNCZZARATAWKXFO-JXOPTERJSA-N
MW1274.24 g/mol
LogP12.89
Rot. Bonds7

About tris(1,4-dimethylpiperidine);(3S)-1,3-dimethylpiperidine;bis(4-ethyl-1-methylpiperidine);1-methylpiperidin-3-ol;1-methyl-4-propylpiperazine;1-methyl-4-propylpiperidine;1-methyl-4-pyrrolidin-1-ylpiperidine

tris(1,4-dimethylpiperidine);(3S)-1,3-dimethylpiperidine;bis(4-ethyl-1-methylpiperidine);1-methylpiperidin-3-ol;1-methyl-4-propylpiperazine;1-methyl-4-propylpiperidine;1-methyl-4-pyrrolidin-1-ylpiperidine (PubChem CID 159745660) has the molecular formula C77H164N12O and a molecular weight of 1274.24 g/mol. Its IUPAC name is tris(1,4-dimethylpiperidine);(3S)-1,3-dimethylpiperidine;bis(4-ethyl-1-methylpiperidine);1-methylpiperidin-3-ol;1-methyl-4-propylpiperazine;1-methyl-4-propylpiperidine;1-methyl-4-pyrrolidin-1-ylpiperidine.

Molecular Properties

Compound Nametris(1,4-dimethylpiperidine);(3S)-1,3-dimethylpiperidine;bis(4-ethyl-1-methylpiperidine);1-methylpiperidin-3-ol;1-methyl-4-propylpiperazine;1-methyl-4-propylpiperidine;1-methyl-4-pyrrolidin-1-ylpiperidine
PubChem CID159745660
Molecular FormulaC77H164N12O
Molecular Weight1274.24 g/mol
Exact Mass1273.32
IUPAC Nametris(1,4-dimethylpiperidine);(3S)-1,3-dimethylpiperidine;bis(4-ethyl-1-methylpiperidine);1-methylpiperidin-3-ol;1-methyl-4-propylpiperazine;1-methyl-4-propylpiperidine;1-methyl-4-pyrrolidin-1-ylpiperidine
SMILESCC1CCN(C)CC1.CC1CCN(C)CC1.CC1CCN(C)CC1.CCC1CCN(C)CC1.CCC1CCN(C)CC1.CCCC1CCN(C)CC1.CCCN1CCN(C)CC1.CN1CCC(N2CCCC2)CC1.CN1CCCC(O)C1.C[C@H]1CCCN(C)C1
InChIInChI=1S/C10H20N2.C9H19N.C8H18N2.2C8H17N.4C7H15N.C6H13NO/c1-11-8-4-10(5-9-11)12-6-2-3-7-12;1-3-4-9-5-7-10(2)8-6-9;1-3-4-10-7-5-9(2)6-8-10;2*1-3-8-4-6-9(2)7-5-8;3*1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-4-2-3-6(8)5-7/h10H,2-9H2,1H3;9H,3-8H2,1-2H3;3-8H2,1-2H3;2*8H,3-7H2,1-2H3;4*7H,3-6H2,1-2H3;6,8H,2-5H2,1H3/t;;;;;;;;7-;/m........0./s1
InChIKeyNCZZARATAWKXFO-JXOPTERJSA-N
XLogP12.89
TPSA59.11 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001274.24
LogP ≤ 512.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze tris(1,4-dimethylpiperidine);(3S)-1,3-dimethylpiperidine;bis(4-ethyl-1-methylpiperidine);1-methylpiperidin-3-ol;1-methyl-4-propylpiperazine;1-methyl-4-propylpiperidine;1-methyl-4-pyrrolidin-1-ylpiperidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of tris(1,4-dimethylpiperidine);(3S)-1,3-dimethylpiperidine;bis(4-ethyl-1-methylpiperidine);1-methylpiperidin-3-ol;1-methyl-4-propylpiperazine;1-methyl-4-propylpiperidine;1-methyl-4-pyrrolidin-1-ylpiperidine?
The IUPAC name of tris(1,4-dimethylpiperidine);(3S)-1,3-dimethylpiperidine;bis(4-ethyl-1-methylpiperidine);1-methylpiperidin-3-ol;1-methyl-4-propylpiperazine;1-methyl-4-propylpiperidine;1-methyl-4-pyrrolidin-1-ylpiperidine (CID 159745660) is tris(1,4-dimethylpiperidine);(3S)-1,3-dimethylpiperidine;bis(4-ethyl-1-methylpiperidine);1-methylpiperidin-3-ol;1-methyl-4-propylpiperazine;1-methyl-4-propylpiperidine;1-methyl-4-pyrrolidin-1-ylpiperidine.
What is the SMILES notation for tris(1,4-dimethylpiperidine);(3S)-1,3-dimethylpiperidine;bis(4-ethyl-1-methylpiperidine);1-methylpiperidin-3-ol;1-methyl-4-propylpiperazine;1-methyl-4-propylpiperidine;1-methyl-4-pyrrolidin-1-ylpiperidine?
The canonical SMILES for tris(1,4-dimethylpiperidine);(3S)-1,3-dimethylpiperidine;bis(4-ethyl-1-methylpiperidine);1-methylpiperidin-3-ol;1-methyl-4-propylpiperazine;1-methyl-4-propylpiperidine;1-methyl-4-pyrrolidin-1-ylpiperidine is CC1CCN(C)CC1.CC1CCN(C)CC1.CC1CCN(C)CC1.CCC1CCN(C)CC1.CCC1CCN(C)CC1.CCCC1CCN(C)CC1.CCCN1CCN(C)CC1.CN1CCC(N2CCCC2)CC1.CN1CCCC(O)C1.C[C@H]1CCCN(C)C1.
What is the InChIKey of tris(1,4-dimethylpiperidine);(3S)-1,3-dimethylpiperidine;bis(4-ethyl-1-methylpiperidine);1-methylpiperidin-3-ol;1-methyl-4-propylpiperazine;1-methyl-4-propylpiperidine;1-methyl-4-pyrrolidin-1-ylpiperidine?
The InChIKey is NCZZARATAWKXFO-JXOPTERJSA-N. The full InChI is InChI=1S/C10H20N2.C9H19N.C8H18N2.2C8H17N.4C7H15N.C6H13NO/c1-11-8-4-10(5-9-11)12-6-2-3-7-12;1-3-4-9-5-7-10(2)8-6-9;1-3-4-10-7-5-9(2)6-8-10;2*1-3-8-4-6-9(2)7-5-8;3*1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-4-2-3-6(8)5-7/h10H,2-9H2,1H3;9H,3-8H2,1-2H3;3-8H2,1-2H3;2*8H,3-7H2,1-2H3;4*7H,3-6H2,1-2H3;6,8H,2-5H2,1H3/t;;;;;;;;7-;/m........0./s1.
What are the key properties of tris(1,4-dimethylpiperidine);(3S)-1,3-dimethylpiperidine;bis(4-ethyl-1-methylpiperidine);1-methylpiperidin-3-ol;1-methyl-4-propylpiperazine;1-methyl-4-propylpiperidine;1-methyl-4-pyrrolidin-1-ylpiperidine?
tris(1,4-dimethylpiperidine);(3S)-1,3-dimethylpiperidine;bis(4-ethyl-1-methylpiperidine);1-methylpiperidin-3-ol;1-methyl-4-propylpiperazine;1-methyl-4-propylpiperidine;1-methyl-4-pyrrolidin-1-ylpiperidine has a molecular weight of 1274.24 g/mol, XLogP of 12.89, 7 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1,4-dimethylpiperidine);(3S)-1,3-dimethylpiperidine;bis(4-ethyl-1-methylpiperidine);1-methylpiperidin-3-ol;1-methyl-4-propylpiperazine;1-methyl-4-propylpiperidine;1-methyl-4-pyrrolidin-1-ylpiperidine is sourced from PubChem (CID 159745660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).