(2R)-2-[2-[4-[2-[bis[(2R)-1-hydroxydodecan-2-yl]amino]ethyl]piperazin-1-yl]ethyl-[2-[1-hydroxydodecan-2-yl-[(2R)-1-hydroxydodecan-2-yl]amino]ethyl]amino]dodecan-1-ol;(11R,15R)-13-[2-[4-[2-[2-[bis[(2R)-2-hydroxydodecyl]amino]ethyl-[(2R)-2-hydroxydodecyl]amino]ethyl]piperazin-1-yl]ethyl]pentacosane-11,15-diol

C141H291N9O10 — CID 157339733

About (2R)-2-[2-[4-[2-[bis[(2R)-1-hydroxydodecan-2-yl]amino]ethyl]piperazin-1-yl]ethyl-[2-[1-hydroxydodecan-2-yl-[(2R)-1-hydroxydodecan-2-yl]amino]ethyl]amino]dodecan-1-ol;(11R,15R)-13-[2-[4-[2-[2-[bis[(2R)-2-hydroxydodecyl]amino]ethyl-[(2R)-2-hydroxydodecyl]amino]ethyl]piperazin-1-yl]ethyl]pentacosane-11,15-diol

(2R)-2-[2-[4-[2-[bis[(2R)-1-hydroxydodecan-2-yl]amino]ethyl]piperazin-1-yl]ethyl-[2-[1-hydroxydodecan-2-yl-[(2R)-1-hydroxydodecan-2-yl]amino]ethyl]amino]dodecan-1-ol;(11R,15R)-13-[2-[4-[2-[2-[bis[(2R)-2-hydroxydodecyl]amino]ethyl-[(2R)-2-hydroxydodecyl]amino]ethyl]piperazin-1-yl]ethyl]pentacosane-11,15-diol (PubChem CID 157339733) has the molecular formula C141H291N9O10 and a molecular weight of 2272.93 g/mol. Its IUPAC name is (2R)-2-[2-[4-[2-[bis[(2R)-1-hydroxydodecan-2-yl]amino]ethyl]piperazin-1-yl]ethyl-[2-[1-hydroxydodecan-2-yl-[(2R)-1-hydroxydodecan-2-yl]amino]ethyl]amino]dodecan-1-ol;(11R,15R)-13-[2-[4-[2-[2-[bis[(2R)-2-hydroxydodecyl]amino]ethyl-[(2R)-2-hydroxydodecyl]amino]ethyl]piperazin-1-yl]ethyl]pentacosane-11,15-diol.

Molecular Properties

• Compound Name: (2R)-2-[2-[4-[2-[bis[(2R)-1-hydroxydodecan-2-yl]amino]ethyl]piperazin-1-yl]ethyl-[2-[1-hydroxydodecan-2-yl-[(2R)-1-hydroxydodecan-2-yl]amino]ethyl]amino]dodecan-1-ol;(11R,15R)-13-[2-[4-[2-[2-[bis[(2R)-2-hydroxydodecyl]amino]ethyl-[(2R)-2-hydroxydodecyl]amino]ethyl]piperazin-1-yl]ethyl]pentacosane-11,15-diol
• PubChem CID: 157339733
• Molecular Formula: C141H291N9O10
• Molecular Weight: 2272.93 g/mol
• Exact Mass: 2271.25
• IUPAC Name: (2R)-2-[2-[4-[2-[bis[(2R)-1-hydroxydodecan-2-yl]amino]ethyl]piperazin-1-yl]ethyl-[2-[1-hydroxydodecan-2-yl-[(2R)-1-hydroxydodecan-2-yl]amino]ethyl]amino]dodecan-1-ol;(11R,15R)-13-[2-[4-[2-[2-[bis[(2R)-2-hydroxydodecyl]amino]ethyl-[(2R)-2-hydroxydodecyl]amino]ethyl]piperazin-1-yl]ethyl]pentacosane-11,15-diol
• SMILES: CCCCCCCCCCC(CO)N(CCN(CCN1CCN(CCN([C@@H](CO)CCCCCCCCCC)[C@@H](CO)CCCCCCCCCC)CC1)[C@@H](CO)CCCCCCCCCC)[C@@H](CO)CCCCCCCCCC.CCCCCCCCCC[C@@H](O)CC(CCN1CCN(CCN(CCN(C[C@H](O)CCCCCCCCCC)C[C@H](O)CCCCCCCCCC)C[C@H](O)CCCCCCCCCC)CC1)C[C@H](O)CCCCCCCCCC
• InChI: InChI=1S/C71H146N4O5.C70H145N5O5/c1-6-11-16-21-26-31-36-41-46-67(76)61-66(62-68(77)47-42-37-32-27-22-17-12-7-2)51-52-72-53-55-73(56-54-72)57-58-74(63-69(78)48-43-38-33-28-23-18-13-8-3)59-60-75(64-70(79)49-44-39-34-29-24-19-14-9-4)65-71(80)50-45-40-35-30-25-20-15-10-5;1-6-11-16-21-26-31-36-41-46-66(61-76)73(58-60-75(69(64-79)49-44-39-34-29-24-19-14-9-4)70(65-80)50-45-40-35-30-25-20-15-10-5)57-55-71-51-53-72(54-52-71)56-59-74(67(62-77)47-42-37-32-27-22-17-12-7-2)68(63-78)48-43-38-33-28-23-18-13-8-3/h66-71,76-80H,6-65H2,1-5H3;66-70,76-80H,6-65H2,1-5H3/t67-,68-,69-,70-,71-;66-,67-,68-,69-,70?/m11/s1
• InChIKey: BGGINNNLTGAMSX-SCOKKRBXSA-N
• XLogP: 33.42
• TPSA: 231.46 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 19
• Rotatable Bonds: 128
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2272.93
LogP ≤ 5	33.42
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-[4-[2-[bis[(2R)-1-hydroxydodecan-2-yl]amino]ethyl]piperazin-1-yl]ethyl-[2-[1-hydroxydodecan-2-yl-[(2R)-1-hydroxydodecan-2-yl]amino]ethyl]amino]dodecan-1-ol;(11R,15R)-13-[2-[4-[2-[2-[bis[(2R)-2-hydroxydodecyl]amino]ethyl-[(2R)-2-hydroxydodecyl]amino]ethyl]piperazin-1-yl]ethyl]pentacosane-11,15-diol?

The IUPAC name of (2R)-2-[2-[4-[2-[bis[(2R)-1-hydroxydodecan-2-yl]amino]ethyl]piperazin-1-yl]ethyl-[2-[1-hydroxydodecan-2-yl-[(2R)-1-hydroxydodecan-2-yl]amino]ethyl]amino]dodecan-1-ol;(11R,15R)-13-[2-[4-[2-[2-[bis[(2R)-2-hydroxydodecyl]amino]ethyl-[(2R)-2-hydroxydodecyl]amino]ethyl]piperazin-1-yl]ethyl]pentacosane-11,15-diol (CID 157339733) is (2R)-2-[2-[4-[2-[bis[(2R)-1-hydroxydodecan-2-yl]amino]ethyl]piperazin-1-yl]ethyl-[2-[1-hydroxydodecan-2-yl-[(2R)-1-hydroxydodecan-2-yl]amino]ethyl]amino]dodecan-1-ol;(11R,15R)-13-[2-[4-[2-[2-[bis[(2R)-2-hydroxydodecyl]amino]ethyl-[(2R)-2-hydroxydodecyl]amino]ethyl]piperazin-1-yl]ethyl]pentacosane-11,15-diol.

What is the SMILES notation for (2R)-2-[2-[4-[2-[bis[(2R)-1-hydroxydodecan-2-yl]amino]ethyl]piperazin-1-yl]ethyl-[2-[1-hydroxydodecan-2-yl-[(2R)-1-hydroxydodecan-2-yl]amino]ethyl]amino]dodecan-1-ol;(11R,15R)-13-[2-[4-[2-[2-[bis[(2R)-2-hydroxydodecyl]amino]ethyl-[(2R)-2-hydroxydodecyl]amino]ethyl]piperazin-1-yl]ethyl]pentacosane-11,15-diol?

The canonical SMILES for (2R)-2-[2-[4-[2-[bis[(2R)-1-hydroxydodecan-2-yl]amino]ethyl]piperazin-1-yl]ethyl-[2-[1-hydroxydodecan-2-yl-[(2R)-1-hydroxydodecan-2-yl]amino]ethyl]amino]dodecan-1-ol;(11R,15R)-13-[2-[4-[2-[2-[bis[(2R)-2-hydroxydodecyl]amino]ethyl-[(2R)-2-hydroxydodecyl]amino]ethyl]piperazin-1-yl]ethyl]pentacosane-11,15-diol is CCCCCCCCCCC(CO)N(CCN(CCN1CCN(CCN([C@@H](CO)CCCCCCCCCC)[C@@H](CO)CCCCCCCCCC)CC1)[C@@H](CO)CCCCCCCCCC)[C@@H](CO)CCCCCCCCCC.CCCCCCCCCC[C@@H](O)CC(CCN1CCN(CCN(CCN(C[C@H](O)CCCCCCCCCC)C[C@H](O)CCCCCCCCCC)C[C@H](O)CCCCCCCCCC)CC1)C[C@H](O)CCCCCCCCCC.

What is the InChIKey of (2R)-2-[2-[4-[2-[bis[(2R)-1-hydroxydodecan-2-yl]amino]ethyl]piperazin-1-yl]ethyl-[2-[1-hydroxydodecan-2-yl-[(2R)-1-hydroxydodecan-2-yl]amino]ethyl]amino]dodecan-1-ol;(11R,15R)-13-[2-[4-[2-[2-[bis[(2R)-2-hydroxydodecyl]amino]ethyl-[(2R)-2-hydroxydodecyl]amino]ethyl]piperazin-1-yl]ethyl]pentacosane-11,15-diol?

The InChIKey is BGGINNNLTGAMSX-SCOKKRBXSA-N. The full InChI is InChI=1S/C71H146N4O5.C70H145N5O5/c1-6-11-16-21-26-31-36-41-46-67(76)61-66(62-68(77)47-42-37-32-27-22-17-12-7-2)51-52-72-53-55-73(56-54-72)57-58-74(63-69(78)48-43-38-33-28-23-18-13-8-3)59-60-75(64-70(79)49-44-39-34-29-24-19-14-9-4)65-71(80)50-45-40-35-30-25-20-15-10-5;1-6-11-16-21-26-31-36-41-46-66(61-76)73(58-60-75(69(64-79)49-44-39-34-29-24-19-14-9-4)70(65-80)50-45-40-35-30-25-20-15-10-5)57-55-71-51-53-72(54-52-71)56-59-74(67(62-77)47-42-37-32-27-22-17-12-7-2)68(63-78)48-43-38-33-28-23-18-13-8-3/h66-71,76-80H,6-65H2,1-5H3;66-70,76-80H,6-65H2,1-5H3/t67-,68-,69-,70-,71-;66-,67-,68-,69-,70?/m11/s1.

What are the key properties of (2R)-2-[2-[4-[2-[bis[(2R)-1-hydroxydodecan-2-yl]amino]ethyl]piperazin-1-yl]ethyl-[2-[1-hydroxydodecan-2-yl-[(2R)-1-hydroxydodecan-2-yl]amino]ethyl]amino]dodecan-1-ol;(11R,15R)-13-[2-[4-[2-[2-[bis[(2R)-2-hydroxydodecyl]amino]ethyl-[(2R)-2-hydroxydodecyl]amino]ethyl]piperazin-1-yl]ethyl]pentacosane-11,15-diol?

(2R)-2-[2-[4-[2-[bis[(2R)-1-hydroxydodecan-2-yl]amino]ethyl]piperazin-1-yl]ethyl-[2-[1-hydroxydodecan-2-yl-[(2R)-1-hydroxydodecan-2-yl]amino]ethyl]amino]dodecan-1-ol;(11R,15R)-13-[2-[4-[2-[2-[bis[(2R)-2-hydroxydodecyl]amino]ethyl-[(2R)-2-hydroxydodecyl]amino]ethyl]piperazin-1-yl]ethyl]pentacosane-11,15-diol has a molecular weight of 2272.93 g/mol, XLogP of 33.42, 128 rotatable bonds, 10 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[2-[4-[2-[bis[(2R)-1-hydroxydodecan-2-yl]amino]ethyl]piperazin-1-yl]ethyl-[2-[1-hydroxydodecan-2-yl-[(2R)-1-hydroxydodecan-2-yl]amino]ethyl]amino]dodecan-1-ol;(11R,15R)-13-[2-[4-[2-[2-[bis[(2R)-2-hydroxydodecyl]amino]ethyl-[(2R)-2-hydroxydodecyl]amino]ethyl]piperazin-1-yl]ethyl]pentacosane-11,15-diol is sourced from PubChem (CID 157339733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).