acetyl chloride;tert-butyl 4-[acetyl(ethyl)amino]piperidine-1-carboxylate;tert-butyl 4-(ethylamino)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;ethanamine;N-ethyl-N-piperidin-4-ylacetamide;hydrochloride

C49H96Cl2N8O10 — CID 159394534

About acetyl chloride;tert-butyl 4-[acetyl(ethyl)amino]piperidine-1-carboxylate;tert-butyl 4-(ethylamino)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;ethanamine;N-ethyl-N-piperidin-4-ylacetamide;hydrochloride

acetyl chloride;tert-butyl 4-[acetyl(ethyl)amino]piperidine-1-carboxylate;tert-butyl 4-(ethylamino)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;ethanamine;N-ethyl-N-piperidin-4-ylacetamide;hydrochloride (PubChem CID 159394534) has the molecular formula C49H96Cl2N8O10 and a molecular weight of 1028.26 g/mol. Its IUPAC name is acetyl chloride;tert-butyl 4-[acetyl(ethyl)amino]piperidine-1-carboxylate;tert-butyl 4-(ethylamino)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;ethanamine;N-ethyl-N-piperidin-4-ylacetamide;hydrochloride.

Molecular Properties

• Compound Name: acetyl chloride;tert-butyl 4-[acetyl(ethyl)amino]piperidine-1-carboxylate;tert-butyl 4-(ethylamino)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;ethanamine;N-ethyl-N-piperidin-4-ylacetamide;hydrochloride
• PubChem CID: 159394534
• Molecular Formula: C49H96Cl2N8O10
• Molecular Weight: 1028.26 g/mol
• Exact Mass: 1026.66
• IUPAC Name: acetyl chloride;tert-butyl 4-[acetyl(ethyl)amino]piperidine-1-carboxylate;tert-butyl 4-(ethylamino)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;ethanamine;N-ethyl-N-piperidin-4-ylacetamide;hydrochloride
• SMILES: CC(=O)Cl.CC(C)(C)OC(=O)N1CCC(=O)CC1.CCN.CCN(C(C)=O)C1CCN(C(=O)OC(C)(C)C)CC1.CCN(C(C)=O)C1CCNCC1.CCNC1CCN(C(=O)OC(C)(C)C)CC1.Cl
• InChI: InChI=1S/C14H26N2O3.C12H24N2O2.C10H17NO3.C9H18N2O.C2H3ClO.C2H7N.ClH/c1-6-16(11(2)17)12-7-9-15(10-8-12)13(18)19-14(3,4)5;1-5-13-10-6-8-14(9-7-10)11(15)16-12(2,3)4;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;1-3-11(8(2)12)9-4-6-10-7-5-9;1-2(3)4;1-2-3;/h12H,6-10H2,1-5H3;10,13H,5-9H2,1-4H3;4-7H2,1-3H3;9-10H,3-7H2,1-2H3;1H3;2-3H2,1H3;1H
• InChIKey: HWKUFHSLRMPTJI-UHFFFAOYSA-N
• XLogP: 7.60
• TPSA: 213.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 6
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1028.26
LogP ≤ 5	7.60
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of acetyl chloride;tert-butyl 4-[acetyl(ethyl)amino]piperidine-1-carboxylate;tert-butyl 4-(ethylamino)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;ethanamine;N-ethyl-N-piperidin-4-ylacetamide;hydrochloride?

The IUPAC name of acetyl chloride;tert-butyl 4-[acetyl(ethyl)amino]piperidine-1-carboxylate;tert-butyl 4-(ethylamino)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;ethanamine;N-ethyl-N-piperidin-4-ylacetamide;hydrochloride (CID 159394534) is acetyl chloride;tert-butyl 4-[acetyl(ethyl)amino]piperidine-1-carboxylate;tert-butyl 4-(ethylamino)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;ethanamine;N-ethyl-N-piperidin-4-ylacetamide;hydrochloride.

What is the SMILES notation for acetyl chloride;tert-butyl 4-[acetyl(ethyl)amino]piperidine-1-carboxylate;tert-butyl 4-(ethylamino)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;ethanamine;N-ethyl-N-piperidin-4-ylacetamide;hydrochloride?

The canonical SMILES for acetyl chloride;tert-butyl 4-[acetyl(ethyl)amino]piperidine-1-carboxylate;tert-butyl 4-(ethylamino)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;ethanamine;N-ethyl-N-piperidin-4-ylacetamide;hydrochloride is CC(=O)Cl.CC(C)(C)OC(=O)N1CCC(=O)CC1.CCN.CCN(C(C)=O)C1CCN(C(=O)OC(C)(C)C)CC1.CCN(C(C)=O)C1CCNCC1.CCNC1CCN(C(=O)OC(C)(C)C)CC1.Cl.

What is the InChIKey of acetyl chloride;tert-butyl 4-[acetyl(ethyl)amino]piperidine-1-carboxylate;tert-butyl 4-(ethylamino)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;ethanamine;N-ethyl-N-piperidin-4-ylacetamide;hydrochloride?

The InChIKey is HWKUFHSLRMPTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3.C12H24N2O2.C10H17NO3.C9H18N2O.C2H3ClO.C2H7N.ClH/c1-6-16(11(2)17)12-7-9-15(10-8-12)13(18)19-14(3,4)5;1-5-13-10-6-8-14(9-7-10)11(15)16-12(2,3)4;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;1-3-11(8(2)12)9-4-6-10-7-5-9;1-2(3)4;1-2-3;/h12H,6-10H2,1-5H3;10,13H,5-9H2,1-4H3;4-7H2,1-3H3;9-10H,3-7H2,1-2H3;1H3;2-3H2,1H3;1H.

What are the key properties of acetyl chloride;tert-butyl 4-[acetyl(ethyl)amino]piperidine-1-carboxylate;tert-butyl 4-(ethylamino)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;ethanamine;N-ethyl-N-piperidin-4-ylacetamide;hydrochloride?

acetyl chloride;tert-butyl 4-[acetyl(ethyl)amino]piperidine-1-carboxylate;tert-butyl 4-(ethylamino)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;ethanamine;N-ethyl-N-piperidin-4-ylacetamide;hydrochloride has a molecular weight of 1028.26 g/mol, XLogP of 7.60, 6 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for acetyl chloride;tert-butyl 4-[acetyl(ethyl)amino]piperidine-1-carboxylate;tert-butyl 4-(ethylamino)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;ethanamine;N-ethyl-N-piperidin-4-ylacetamide;hydrochloride is sourced from PubChem (CID 159394534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).