4-but-2-ynyl-3,5-dimethylpiperidine;3,5-diethyl-3-methylpiperidin-4-amine;3-ethyl-3,5-dimethylpiperidin-4-amine;N-ethyl-3,5-dimethylpiperidin-4-amine;molecular hydrogen;N,N,3,5-tetramethylpiperidin-4-amine;3,3,5-trimethylpiperidin-4-amine

C56H121N11 — CID 157454311

About 4-but-2-ynyl-3,5-dimethylpiperidine;3,5-diethyl-3-methylpiperidin-4-amine;3-ethyl-3,5-dimethylpiperidin-4-amine;N-ethyl-3,5-dimethylpiperidin-4-amine;molecular hydrogen;N,N,3,5-tetramethylpiperidin-4-amine;3,3,5-trimethylpiperidin-4-amine

4-but-2-ynyl-3,5-dimethylpiperidine;3,5-diethyl-3-methylpiperidin-4-amine;3-ethyl-3,5-dimethylpiperidin-4-amine;N-ethyl-3,5-dimethylpiperidin-4-amine;molecular hydrogen;N,N,3,5-tetramethylpiperidin-4-amine;3,3,5-trimethylpiperidin-4-amine (PubChem CID 157454311) has the molecular formula C56H121N11 and a molecular weight of 948.66 g/mol. Its IUPAC name is 4-but-2-ynyl-3,5-dimethylpiperidine;3,5-diethyl-3-methylpiperidin-4-amine;3-ethyl-3,5-dimethylpiperidin-4-amine;N-ethyl-3,5-dimethylpiperidin-4-amine;molecular hydrogen;N,N,3,5-tetramethylpiperidin-4-amine;3,3,5-trimethylpiperidin-4-amine.

Molecular Properties

• Compound Name: 4-but-2-ynyl-3,5-dimethylpiperidine;3,5-diethyl-3-methylpiperidin-4-amine;3-ethyl-3,5-dimethylpiperidin-4-amine;N-ethyl-3,5-dimethylpiperidin-4-amine;molecular hydrogen;N,N,3,5-tetramethylpiperidin-4-amine;3,3,5-trimethylpiperidin-4-amine
• PubChem CID: 157454311
• Molecular Formula: C56H121N11
• Molecular Weight: 948.66 g/mol
• Exact Mass: 947.98
• IUPAC Name: 4-but-2-ynyl-3,5-dimethylpiperidine;3,5-diethyl-3-methylpiperidin-4-amine;3-ethyl-3,5-dimethylpiperidin-4-amine;N-ethyl-3,5-dimethylpiperidin-4-amine;molecular hydrogen;N,N,3,5-tetramethylpiperidin-4-amine;3,3,5-trimethylpiperidin-4-amine
• SMILES: CC#CCC1C(C)CNCC1C.CC1CNCC(C)(C)C1N.CC1CNCC(C)C1N(C)C.CCC1(C)CNCC(C)C1N.CCC1CNCC(C)(CC)C1N.CCNC1C(C)CNCC1C.[H][H]
• InChI: InChI=1S/C11H19N.C10H22N2.3C9H20N2.C8H18N2.H2/c1-4-5-6-11-9(2)7-12-8-10(11)3;1-4-8-6-12-7-10(3,5-2)9(8)11;1-7-5-10-6-8(2)9(7)11(3)4;1-4-9(3)6-11-5-7(2)8(9)10;1-4-11-9-7(2)5-10-6-8(9)3;1-6-4-10-5-8(2,3)7(6)9;/h9-12H,6-8H2,1-3H3;8-9,12H,4-7,11H2,1-3H3;7-10H,5-6H2,1-4H3;7-8,11H,4-6,10H2,1-3H3;7-11H,4-6H2,1-3H3;6-7,10H,4-5,9H2,1-3H3;1H
• InChIKey: BTEACQAOIJPWSL-UHFFFAOYSA-N
• XLogP: 6.68
• TPSA: 165.51 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	948.66
LogP ≤ 5	6.68
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-but-2-ynyl-3,5-dimethylpiperidine;3,5-diethyl-3-methylpiperidin-4-amine;3-ethyl-3,5-dimethylpiperidin-4-amine;N-ethyl-3,5-dimethylpiperidin-4-amine;molecular hydrogen;N,N,3,5-tetramethylpiperidin-4-amine;3,3,5-trimethylpiperidin-4-amine?

The IUPAC name of 4-but-2-ynyl-3,5-dimethylpiperidine;3,5-diethyl-3-methylpiperidin-4-amine;3-ethyl-3,5-dimethylpiperidin-4-amine;N-ethyl-3,5-dimethylpiperidin-4-amine;molecular hydrogen;N,N,3,5-tetramethylpiperidin-4-amine;3,3,5-trimethylpiperidin-4-amine (CID 157454311) is 4-but-2-ynyl-3,5-dimethylpiperidine;3,5-diethyl-3-methylpiperidin-4-amine;3-ethyl-3,5-dimethylpiperidin-4-amine;N-ethyl-3,5-dimethylpiperidin-4-amine;molecular hydrogen;N,N,3,5-tetramethylpiperidin-4-amine;3,3,5-trimethylpiperidin-4-amine.

What is the SMILES notation for 4-but-2-ynyl-3,5-dimethylpiperidine;3,5-diethyl-3-methylpiperidin-4-amine;3-ethyl-3,5-dimethylpiperidin-4-amine;N-ethyl-3,5-dimethylpiperidin-4-amine;molecular hydrogen;N,N,3,5-tetramethylpiperidin-4-amine;3,3,5-trimethylpiperidin-4-amine?

The canonical SMILES for 4-but-2-ynyl-3,5-dimethylpiperidine;3,5-diethyl-3-methylpiperidin-4-amine;3-ethyl-3,5-dimethylpiperidin-4-amine;N-ethyl-3,5-dimethylpiperidin-4-amine;molecular hydrogen;N,N,3,5-tetramethylpiperidin-4-amine;3,3,5-trimethylpiperidin-4-amine is CC#CCC1C(C)CNCC1C.CC1CNCC(C)(C)C1N.CC1CNCC(C)C1N(C)C.CCC1(C)CNCC(C)C1N.CCC1CNCC(C)(CC)C1N.CCNC1C(C)CNCC1C.[H][H].

What is the InChIKey of 4-but-2-ynyl-3,5-dimethylpiperidine;3,5-diethyl-3-methylpiperidin-4-amine;3-ethyl-3,5-dimethylpiperidin-4-amine;N-ethyl-3,5-dimethylpiperidin-4-amine;molecular hydrogen;N,N,3,5-tetramethylpiperidin-4-amine;3,3,5-trimethylpiperidin-4-amine?

The InChIKey is BTEACQAOIJPWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N.C10H22N2.3C9H20N2.C8H18N2.H2/c1-4-5-6-11-9(2)7-12-8-10(11)3;1-4-8-6-12-7-10(3,5-2)9(8)11;1-7-5-10-6-8(2)9(7)11(3)4;1-4-9(3)6-11-5-7(2)8(9)10;1-4-11-9-7(2)5-10-6-8(9)3;1-6-4-10-5-8(2,3)7(6)9;/h9-12H,6-8H2,1-3H3;8-9,12H,4-7,11H2,1-3H3;7-10H,5-6H2,1-4H3;7-8,11H,4-6,10H2,1-3H3;7-11H,4-6H2,1-3H3;6-7,10H,4-5,9H2,1-3H3;1H.

What are the key properties of 4-but-2-ynyl-3,5-dimethylpiperidine;3,5-diethyl-3-methylpiperidin-4-amine;3-ethyl-3,5-dimethylpiperidin-4-amine;N-ethyl-3,5-dimethylpiperidin-4-amine;molecular hydrogen;N,N,3,5-tetramethylpiperidin-4-amine;3,3,5-trimethylpiperidin-4-amine?

4-but-2-ynyl-3,5-dimethylpiperidine;3,5-diethyl-3-methylpiperidin-4-amine;3-ethyl-3,5-dimethylpiperidin-4-amine;N-ethyl-3,5-dimethylpiperidin-4-amine;molecular hydrogen;N,N,3,5-tetramethylpiperidin-4-amine;3,3,5-trimethylpiperidin-4-amine has a molecular weight of 948.66 g/mol, XLogP of 6.68, 7 rotatable bonds, 10 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-but-2-ynyl-3,5-dimethylpiperidine;3,5-diethyl-3-methylpiperidin-4-amine;3-ethyl-3,5-dimethylpiperidin-4-amine;N-ethyl-3,5-dimethylpiperidin-4-amine;molecular hydrogen;N,N,3,5-tetramethylpiperidin-4-amine;3,3,5-trimethylpiperidin-4-amine is sourced from PubChem (CID 157454311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).