4-ethyl-1-methylpiperidine;1-methyl-4-pyrrolidin-1-ylpiperidine;pyrrolidine;N,N,1-trimethylpiperidin-4-amine

C30H64N6 — CID 145293760

IUPAC4-ethyl-1-methylpiperidine;1-methyl-4-pyrrolidin-1-ylpiperidine;pyrrolidine;N,N,1-trimethylpiperidin-4-amine
SMILESC1CCNC1.CCC1CCN(C)CC1.CN1CCC(N(C)C)CC1.CN1CCC(N2CCCC2)CC1
InChIInChI=1S/C10H20N2.C8H18N2.C8H17N.C4H9N/c1-11-8-4-10(5-9-11)12-6-2-3-7-12;1-9(2)8-4-6-10(3)7-5-8;1-3-8-4-6-9(2)7-5-8;1-2-4-5-3-1/h10H,2-9H2,1H3;8H,4-7H2,1-3H3;8H,3-7H2,1-2H3;5H,1-4H2
InChIKeyJKDPEVZVYNWNGR-UHFFFAOYSA-N
MW508.88 g/mol
LogP3.93
Rot. Bonds3

About 4-ethyl-1-methylpiperidine;1-methyl-4-pyrrolidin-1-ylpiperidine;pyrrolidine;N,N,1-trimethylpiperidin-4-amine

4-ethyl-1-methylpiperidine;1-methyl-4-pyrrolidin-1-ylpiperidine;pyrrolidine;N,N,1-trimethylpiperidin-4-amine (PubChem CID 145293760) has the molecular formula C30H64N6 and a molecular weight of 508.88 g/mol. Its IUPAC name is 4-ethyl-1-methylpiperidine;1-methyl-4-pyrrolidin-1-ylpiperidine;pyrrolidine;N,N,1-trimethylpiperidin-4-amine.

Molecular Properties

Compound Name4-ethyl-1-methylpiperidine;1-methyl-4-pyrrolidin-1-ylpiperidine;pyrrolidine;N,N,1-trimethylpiperidin-4-amine
PubChem CID145293760
Molecular FormulaC30H64N6
Molecular Weight508.88 g/mol
Exact Mass508.52
IUPAC Name4-ethyl-1-methylpiperidine;1-methyl-4-pyrrolidin-1-ylpiperidine;pyrrolidine;N,N,1-trimethylpiperidin-4-amine
SMILESC1CCNC1.CCC1CCN(C)CC1.CN1CCC(N(C)C)CC1.CN1CCC(N2CCCC2)CC1
InChIInChI=1S/C10H20N2.C8H18N2.C8H17N.C4H9N/c1-11-8-4-10(5-9-11)12-6-2-3-7-12;1-9(2)8-4-6-10(3)7-5-8;1-3-8-4-6-9(2)7-5-8;1-2-4-5-3-1/h10H,2-9H2,1H3;8H,4-7H2,1-3H3;8H,3-7H2,1-2H3;5H,1-4H2
InChIKeyJKDPEVZVYNWNGR-UHFFFAOYSA-N
XLogP3.93
TPSA28.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.88
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-methylpiperidine;1-methyl-4-pyrrolidin-1-ylpiperidine;pyrrolidine;N,N,1-trimethylpiperidin-4-amine?
The IUPAC name of 4-ethyl-1-methylpiperidine;1-methyl-4-pyrrolidin-1-ylpiperidine;pyrrolidine;N,N,1-trimethylpiperidin-4-amine (CID 145293760) is 4-ethyl-1-methylpiperidine;1-methyl-4-pyrrolidin-1-ylpiperidine;pyrrolidine;N,N,1-trimethylpiperidin-4-amine.
What is the SMILES notation for 4-ethyl-1-methylpiperidine;1-methyl-4-pyrrolidin-1-ylpiperidine;pyrrolidine;N,N,1-trimethylpiperidin-4-amine?
The canonical SMILES for 4-ethyl-1-methylpiperidine;1-methyl-4-pyrrolidin-1-ylpiperidine;pyrrolidine;N,N,1-trimethylpiperidin-4-amine is C1CCNC1.CCC1CCN(C)CC1.CN1CCC(N(C)C)CC1.CN1CCC(N2CCCC2)CC1.
What is the InChIKey of 4-ethyl-1-methylpiperidine;1-methyl-4-pyrrolidin-1-ylpiperidine;pyrrolidine;N,N,1-trimethylpiperidin-4-amine?
The InChIKey is JKDPEVZVYNWNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2.C8H18N2.C8H17N.C4H9N/c1-11-8-4-10(5-9-11)12-6-2-3-7-12;1-9(2)8-4-6-10(3)7-5-8;1-3-8-4-6-9(2)7-5-8;1-2-4-5-3-1/h10H,2-9H2,1H3;8H,4-7H2,1-3H3;8H,3-7H2,1-2H3;5H,1-4H2.
What are the key properties of 4-ethyl-1-methylpiperidine;1-methyl-4-pyrrolidin-1-ylpiperidine;pyrrolidine;N,N,1-trimethylpiperidin-4-amine?
4-ethyl-1-methylpiperidine;1-methyl-4-pyrrolidin-1-ylpiperidine;pyrrolidine;N,N,1-trimethylpiperidin-4-amine has a molecular weight of 508.88 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-methylpiperidine;1-methyl-4-pyrrolidin-1-ylpiperidine;pyrrolidine;N,N,1-trimethylpiperidin-4-amine is sourced from PubChem (CID 145293760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).