tert-butyl 4-[4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-yl]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;methanol;2-(4-piperidin-4-ylpiperazin-1-yl)ethanol;2-[4-(1-piperidin-4-ylpiperidin-4-yl)piperazin-1-yl]ethanol

C59H116N12O9 — CID 159978876

About tert-butyl 4-[4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-yl]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;methanol;2-(4-piperidin-4-ylpiperazin-1-yl)ethanol;2-[4-(1-piperidin-4-ylpiperidin-4-yl)piperazin-1-yl]ethanol

tert-butyl 4-[4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-yl]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;methanol;2-(4-piperidin-4-ylpiperazin-1-yl)ethanol;2-[4-(1-piperidin-4-ylpiperidin-4-yl)piperazin-1-yl]ethanol (PubChem CID 159978876) has the molecular formula C59H116N12O9 and a molecular weight of 1137.65 g/mol. Its IUPAC name is tert-butyl 4-[4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-yl]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;methanol;2-(4-piperidin-4-ylpiperazin-1-yl)ethanol;2-[4-(1-piperidin-4-ylpiperidin-4-yl)piperazin-1-yl]ethanol.

Molecular Properties

• Compound Name: tert-butyl 4-[4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-yl]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;methanol;2-(4-piperidin-4-ylpiperazin-1-yl)ethanol;2-[4-(1-piperidin-4-ylpiperidin-4-yl)piperazin-1-yl]ethanol
• PubChem CID: 159978876
• Molecular Formula: C59H116N12O9
• Molecular Weight: 1137.65 g/mol
• Exact Mass: 1136.90
• IUPAC Name: tert-butyl 4-[4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-yl]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;methanol;2-(4-piperidin-4-ylpiperazin-1-yl)ethanol;2-[4-(1-piperidin-4-ylpiperidin-4-yl)piperazin-1-yl]ethanol
• SMILES: CC(C)(C)OC(=O)N1CCC(=O)CC1.CC(C)(C)OC(=O)N1CCC(N2CCC(N3CCN(CCO)CC3)CC2)CC1.CO.OCCN1CCN(C2CCN(C3CCNCC3)CC2)CC1.OCCN1CCN(C2CCNCC2)CC1
• InChI: InChI=1S/C21H40N4O3.C16H32N4O.C11H23N3O.C10H17NO3.CH4O/c1-21(2,3)28-20(27)25-10-6-18(7-11-25)23-8-4-19(5-9-23)24-14-12-22(13-15-24)16-17-26;21-14-13-18-9-11-20(12-10-18)16-3-7-19(8-4-16)15-1-5-17-6-2-15;15-10-9-13-5-7-14(8-6-13)11-1-3-12-4-2-11;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;1-2/h18-19,26H,4-17H2,1-3H3;15-17,21H,1-14H2;11-12,15H,1-10H2;4-7H2,1-3H3;2H,1H3
• InChIKey: OFMVBJIVWYOFSM-UHFFFAOYSA-N
• XLogP: 1.82
• TPSA: 207.05 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 19
• Rotatable Bonds: 11
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1137.65
LogP ≤ 5	1.82
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-yl]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;methanol;2-(4-piperidin-4-ylpiperazin-1-yl)ethanol;2-[4-(1-piperidin-4-ylpiperidin-4-yl)piperazin-1-yl]ethanol?

The IUPAC name of tert-butyl 4-[4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-yl]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;methanol;2-(4-piperidin-4-ylpiperazin-1-yl)ethanol;2-[4-(1-piperidin-4-ylpiperidin-4-yl)piperazin-1-yl]ethanol (CID 159978876) is tert-butyl 4-[4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-yl]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;methanol;2-(4-piperidin-4-ylpiperazin-1-yl)ethanol;2-[4-(1-piperidin-4-ylpiperidin-4-yl)piperazin-1-yl]ethanol.

What is the SMILES notation for tert-butyl 4-[4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-yl]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;methanol;2-(4-piperidin-4-ylpiperazin-1-yl)ethanol;2-[4-(1-piperidin-4-ylpiperidin-4-yl)piperazin-1-yl]ethanol?

The canonical SMILES for tert-butyl 4-[4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-yl]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;methanol;2-(4-piperidin-4-ylpiperazin-1-yl)ethanol;2-[4-(1-piperidin-4-ylpiperidin-4-yl)piperazin-1-yl]ethanol is CC(C)(C)OC(=O)N1CCC(=O)CC1.CC(C)(C)OC(=O)N1CCC(N2CCC(N3CCN(CCO)CC3)CC2)CC1.CO.OCCN1CCN(C2CCN(C3CCNCC3)CC2)CC1.OCCN1CCN(C2CCNCC2)CC1.

What is the InChIKey of tert-butyl 4-[4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-yl]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;methanol;2-(4-piperidin-4-ylpiperazin-1-yl)ethanol;2-[4-(1-piperidin-4-ylpiperidin-4-yl)piperazin-1-yl]ethanol?

The InChIKey is OFMVBJIVWYOFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N4O3.C16H32N4O.C11H23N3O.C10H17NO3.CH4O/c1-21(2,3)28-20(27)25-10-6-18(7-11-25)23-8-4-19(5-9-23)24-14-12-22(13-15-24)16-17-26;21-14-13-18-9-11-20(12-10-18)16-3-7-19(8-4-16)15-1-5-17-6-2-15;15-10-9-13-5-7-14(8-6-13)11-1-3-12-4-2-11;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;1-2/h18-19,26H,4-17H2,1-3H3;15-17,21H,1-14H2;11-12,15H,1-10H2;4-7H2,1-3H3;2H,1H3.

What are the key properties of tert-butyl 4-[4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-yl]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;methanol;2-(4-piperidin-4-ylpiperazin-1-yl)ethanol;2-[4-(1-piperidin-4-ylpiperidin-4-yl)piperazin-1-yl]ethanol?

tert-butyl 4-[4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-yl]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;methanol;2-(4-piperidin-4-ylpiperazin-1-yl)ethanol;2-[4-(1-piperidin-4-ylpiperidin-4-yl)piperazin-1-yl]ethanol has a molecular weight of 1137.65 g/mol, XLogP of 1.82, 11 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-yl]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;methanol;2-(4-piperidin-4-ylpiperazin-1-yl)ethanol;2-[4-(1-piperidin-4-ylpiperidin-4-yl)piperazin-1-yl]ethanol is sourced from PubChem (CID 159978876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).