3-ethyl-1-methylpiperidine;3-ethyl-1-methylpyrrolidine;3-ethylpiperidine;4-ethylpiperidine;3-ethylpyrrolidine;(3S)-3-methylazepane;(4S)-4-methylazepane;(3S)-3-methylpiperidine;4-methylpiperidine

C61H131N9 — CID 167645494

IUPAC3-ethyl-1-methylpiperidine;3-ethyl-1-methylpyrrolidine;3-ethylpiperidine;4-ethylpiperidine;3-ethylpyrrolidine;(3S)-3-methylazepane;(4S)-4-methylazepane;(3S)-3-methylpiperidine;4-methylpiperidine
SMILESCC1CCNCC1.CCC1CCCN(C)C1.CCC1CCCNC1.CCC1CCN(C)C1.CCC1CCNC1.CCC1CCNCC1.C[C@H]1CCCCNC1.C[C@H]1CCCNC1.C[C@H]1CCCNCC1
InChIInChI=1S/C8H17N.5C7H15N.3C6H13N/c1-3-8-5-4-6-9(2)7-8;1-7-3-2-5-8-6-4-7;1-7-4-2-3-5-8-6-7;1-3-7-4-5-8(2)6-7;1-2-7-3-5-8-6-4-7;1-2-7-4-3-5-8-6-7;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-2-6-3-4-7-5-6/h8H,3-7H2,1-2H3;2*7-8H,2-6H2,1H3;7H,3-6H2,1-2H3;2*7-8H,2-6H2,1H3;3*6-7H,2-5H2,1H3/t;2*7-;;;;;6-;/m.00....0./s1
InChIKeyPUSNIZWOTUKYKL-YPUDEBPTSA-N
MW990.78 g/mol
LogP11.69
Rot. Bonds5

About 3-ethyl-1-methylpiperidine;3-ethyl-1-methylpyrrolidine;3-ethylpiperidine;4-ethylpiperidine;3-ethylpyrrolidine;(3S)-3-methylazepane;(4S)-4-methylazepane;(3S)-3-methylpiperidine;4-methylpiperidine

3-ethyl-1-methylpiperidine;3-ethyl-1-methylpyrrolidine;3-ethylpiperidine;4-ethylpiperidine;3-ethylpyrrolidine;(3S)-3-methylazepane;(4S)-4-methylazepane;(3S)-3-methylpiperidine;4-methylpiperidine (PubChem CID 167645494) has the molecular formula C61H131N9 and a molecular weight of 990.78 g/mol. Its IUPAC name is 3-ethyl-1-methylpiperidine;3-ethyl-1-methylpyrrolidine;3-ethylpiperidine;4-ethylpiperidine;3-ethylpyrrolidine;(3S)-3-methylazepane;(4S)-4-methylazepane;(3S)-3-methylpiperidine;4-methylpiperidine.

Molecular Properties

Compound Name3-ethyl-1-methylpiperidine;3-ethyl-1-methylpyrrolidine;3-ethylpiperidine;4-ethylpiperidine;3-ethylpyrrolidine;(3S)-3-methylazepane;(4S)-4-methylazepane;(3S)-3-methylpiperidine;4-methylpiperidine
PubChem CID167645494
Molecular FormulaC61H131N9
Molecular Weight990.78 g/mol
Exact Mass990.05
IUPAC Name3-ethyl-1-methylpiperidine;3-ethyl-1-methylpyrrolidine;3-ethylpiperidine;4-ethylpiperidine;3-ethylpyrrolidine;(3S)-3-methylazepane;(4S)-4-methylazepane;(3S)-3-methylpiperidine;4-methylpiperidine
SMILESCC1CCNCC1.CCC1CCCN(C)C1.CCC1CCCNC1.CCC1CCN(C)C1.CCC1CCNC1.CCC1CCNCC1.C[C@H]1CCCCNC1.C[C@H]1CCCNC1.C[C@H]1CCCNCC1
InChIInChI=1S/C8H17N.5C7H15N.3C6H13N/c1-3-8-5-4-6-9(2)7-8;1-7-3-2-5-8-6-4-7;1-7-4-2-3-5-8-6-7;1-3-7-4-5-8(2)6-7;1-2-7-3-5-8-6-4-7;1-2-7-4-3-5-8-6-7;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-2-6-3-4-7-5-6/h8H,3-7H2,1-2H3;2*7-8H,2-6H2,1H3;7H,3-6H2,1-2H3;2*7-8H,2-6H2,1H3;3*6-7H,2-5H2,1H3/t;2*7-;;;;;6-;/m.00....0./s1
InChIKeyPUSNIZWOTUKYKL-YPUDEBPTSA-N
XLogP11.69
TPSA90.69 Ų
H-Bond Donors7
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500990.78
LogP ≤ 511.69
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 109

Analyze 3-ethyl-1-methylpiperidine;3-ethyl-1-methylpyrrolidine;3-ethylpiperidine;4-ethylpiperidine;3-ethylpyrrolidine;(3S)-3-methylazepane;(4S)-4-methylazepane;(3S)-3-methylpiperidine;4-methylpiperidine with MolForge

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Related Compounds

1-Azabicyclo[2.2.1]heptane;1-azabicyclo[2.2.2]octane;1,5-diazabicyclo[3.2.2]nonane;1,4-diazabicyclo[2.2.2]octane;1,4-diazepane;piperazine;piperidine;pyrrolidine
CID 157515887
1-azabicyclo[2.2.2]octane;1-methylazepane;1-methylpiperidine;tris(N-methylpropan-2-amine);1-methylpyrrolidine;piperidine;pyrrolidine
CID 158136572
1-Azabicyclo[2.2.1]heptane;1-azabicyclo[3.2.2]nonane;1-azabicyclo[2.2.2]octane;1-methylpiperidine;1-methylpyrrolidine;propane
CID 167580657

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methylpiperidine;3-ethyl-1-methylpyrrolidine;3-ethylpiperidine;4-ethylpiperidine;3-ethylpyrrolidine;(3S)-3-methylazepane;(4S)-4-methylazepane;(3S)-3-methylpiperidine;4-methylpiperidine?
The IUPAC name of 3-ethyl-1-methylpiperidine;3-ethyl-1-methylpyrrolidine;3-ethylpiperidine;4-ethylpiperidine;3-ethylpyrrolidine;(3S)-3-methylazepane;(4S)-4-methylazepane;(3S)-3-methylpiperidine;4-methylpiperidine (CID 167645494) is 3-ethyl-1-methylpiperidine;3-ethyl-1-methylpyrrolidine;3-ethylpiperidine;4-ethylpiperidine;3-ethylpyrrolidine;(3S)-3-methylazepane;(4S)-4-methylazepane;(3S)-3-methylpiperidine;4-methylpiperidine.
What is the SMILES notation for 3-ethyl-1-methylpiperidine;3-ethyl-1-methylpyrrolidine;3-ethylpiperidine;4-ethylpiperidine;3-ethylpyrrolidine;(3S)-3-methylazepane;(4S)-4-methylazepane;(3S)-3-methylpiperidine;4-methylpiperidine?
The canonical SMILES for 3-ethyl-1-methylpiperidine;3-ethyl-1-methylpyrrolidine;3-ethylpiperidine;4-ethylpiperidine;3-ethylpyrrolidine;(3S)-3-methylazepane;(4S)-4-methylazepane;(3S)-3-methylpiperidine;4-methylpiperidine is CC1CCNCC1.CCC1CCCN(C)C1.CCC1CCCNC1.CCC1CCN(C)C1.CCC1CCNC1.CCC1CCNCC1.C[C@H]1CCCCNC1.C[C@H]1CCCNC1.C[C@H]1CCCNCC1.
What is the InChIKey of 3-ethyl-1-methylpiperidine;3-ethyl-1-methylpyrrolidine;3-ethylpiperidine;4-ethylpiperidine;3-ethylpyrrolidine;(3S)-3-methylazepane;(4S)-4-methylazepane;(3S)-3-methylpiperidine;4-methylpiperidine?
The InChIKey is PUSNIZWOTUKYKL-YPUDEBPTSA-N. The full InChI is InChI=1S/C8H17N.5C7H15N.3C6H13N/c1-3-8-5-4-6-9(2)7-8;1-7-3-2-5-8-6-4-7;1-7-4-2-3-5-8-6-7;1-3-7-4-5-8(2)6-7;1-2-7-3-5-8-6-4-7;1-2-7-4-3-5-8-6-7;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-2-6-3-4-7-5-6/h8H,3-7H2,1-2H3;2*7-8H,2-6H2,1H3;7H,3-6H2,1-2H3;2*7-8H,2-6H2,1H3;3*6-7H,2-5H2,1H3/t;2*7-;;;;;6-;/m.00....0./s1.
What are the key properties of 3-ethyl-1-methylpiperidine;3-ethyl-1-methylpyrrolidine;3-ethylpiperidine;4-ethylpiperidine;3-ethylpyrrolidine;(3S)-3-methylazepane;(4S)-4-methylazepane;(3S)-3-methylpiperidine;4-methylpiperidine?
3-ethyl-1-methylpiperidine;3-ethyl-1-methylpyrrolidine;3-ethylpiperidine;4-ethylpiperidine;3-ethylpyrrolidine;(3S)-3-methylazepane;(4S)-4-methylazepane;(3S)-3-methylpiperidine;4-methylpiperidine has a molecular weight of 990.78 g/mol, XLogP of 11.69, 5 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methylpiperidine;3-ethyl-1-methylpyrrolidine;3-ethylpiperidine;4-ethylpiperidine;3-ethylpyrrolidine;(3S)-3-methylazepane;(4S)-4-methylazepane;(3S)-3-methylpiperidine;4-methylpiperidine is sourced from PubChem (CID 167645494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).