1-[2-hydroxypropyl-[2-[2-hydroxypropyl-[2-[2-hydroxypropyl-[2-[4-(2-hydroxypropyl)piperazin-1-yl]ethyl]amino]ethyl]amino]ethyl]amino]butan-2-ol

C26H57N5O5 — CID 91079735

IUPAC1-[2-hydroxypropyl-[2-[2-hydroxypropyl-[2-[2-hydroxypropyl-[2-[4-(2-hydroxypropyl)piperazin-1-yl]ethyl]amino]ethyl]amino]ethyl]amino]butan-2-ol
SMILESCCC(O)CN(CCN(CCN(CCN1CCN(CC(C)O)CC1)CC(C)O)CC(C)O)CC(C)O
InChIInChI=1S/C26H57N5O5/c1-6-26(36)21-31(20-25(5)35)16-15-30(19-24(4)34)14-13-29(18-23(3)33)12-9-27-7-10-28(11-8-27)17-22(2)32/h22-26,32-36H,6-21H2,1-5H3
InChIKeyOBTXFWVLEDWJQN-UHFFFAOYSA-N
MW519.77 g/mol
LogP-1.20
Rot. Bonds20

About 1-[2-hydroxypropyl-[2-[2-hydroxypropyl-[2-[2-hydroxypropyl-[2-[4-(2-hydroxypropyl)piperazin-1-yl]ethyl]amino]ethyl]amino]ethyl]amino]butan-2-ol

1-[2-hydroxypropyl-[2-[2-hydroxypropyl-[2-[2-hydroxypropyl-[2-[4-(2-hydroxypropyl)piperazin-1-yl]ethyl]amino]ethyl]amino]ethyl]amino]butan-2-ol (PubChem CID 91079735) has the molecular formula C26H57N5O5 and a molecular weight of 519.77 g/mol. Its IUPAC name is 1-[2-hydroxypropyl-[2-[2-hydroxypropyl-[2-[2-hydroxypropyl-[2-[4-(2-hydroxypropyl)piperazin-1-yl]ethyl]amino]ethyl]amino]ethyl]amino]butan-2-ol.

Molecular Properties

Compound Name1-[2-hydroxypropyl-[2-[2-hydroxypropyl-[2-[2-hydroxypropyl-[2-[4-(2-hydroxypropyl)piperazin-1-yl]ethyl]amino]ethyl]amino]ethyl]amino]butan-2-ol
PubChem CID91079735
Molecular FormulaC26H57N5O5
Molecular Weight519.77 g/mol
Exact Mass519.44
IUPAC Name1-[2-hydroxypropyl-[2-[2-hydroxypropyl-[2-[2-hydroxypropyl-[2-[4-(2-hydroxypropyl)piperazin-1-yl]ethyl]amino]ethyl]amino]ethyl]amino]butan-2-ol
SMILESCCC(O)CN(CCN(CCN(CCN1CCN(CC(C)O)CC1)CC(C)O)CC(C)O)CC(C)O
InChIInChI=1S/C26H57N5O5/c1-6-26(36)21-31(20-25(5)35)16-15-30(19-24(4)34)14-13-29(18-23(3)33)12-9-27-7-10-28(11-8-27)17-22(2)32/h22-26,32-36H,6-21H2,1-5H3
InChIKeyOBTXFWVLEDWJQN-UHFFFAOYSA-N
XLogP-1.20
TPSA117.35 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds20
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.77
LogP ≤ 5-1.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze 1-[2-hydroxypropyl-[2-[2-hydroxypropyl-[2-[2-hydroxypropyl-[2-[4-(2-hydroxypropyl)piperazin-1-yl]ethyl]amino]ethyl]amino]ethyl]amino]butan-2-ol with MolForge

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Related Compounds

1-(2-(N,N-Bis-(2-hydroxypropyl)-amino)-ethyl)-4-(2-hydroxypropyl)-piperazine
CID 98117
alpha,alpha'-Dimethylpiperazine-1,4-diethanol
CID 96698
2-Propanol, 1,1',1'',1'''-[[(2-hydroxypropyl)imino]bis(2,1-ethanediylnitrilo)]tetrakis-
CID 86512
Ecane
CID 147341
(2R)-1-[4,7,10-tris[(2R)-2-hydroxypropyl]-1,4,7,10-tetrazacyclododec-1-yl]propan-2-ol
CID 71007203
(1s,4s,7s,10s)-1,4,7,10-Tetrakis(2-hydroxypropyl)-1,4,7,10-tetraazacyclododecane
CID 101710942
N,N,N',N'-Tetrakis(2-hydroxypentyl)ethylenediamine
CID 20556494
(2R)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 1549200
(2S)-1-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 1549202
1-[4-(3-Hydroxypropyl)piperazin-1-yl]propan-2-ol
CID 13460168
1-[2-[Bis(2-hydroxybutyl)amino]ethyl-(2-hydroxybutyl)amino]butan-2-ol
CID 14298927
1-[2-[Bis(2-hydroxypropyl)amino]ethyl-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]ethyl]amino]propan-2-ol
CID 14491077

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxypropyl-[2-[2-hydroxypropyl-[2-[2-hydroxypropyl-[2-[4-(2-hydroxypropyl)piperazin-1-yl]ethyl]amino]ethyl]amino]ethyl]amino]butan-2-ol?
The IUPAC name of 1-[2-hydroxypropyl-[2-[2-hydroxypropyl-[2-[2-hydroxypropyl-[2-[4-(2-hydroxypropyl)piperazin-1-yl]ethyl]amino]ethyl]amino]ethyl]amino]butan-2-ol (CID 91079735) is 1-[2-hydroxypropyl-[2-[2-hydroxypropyl-[2-[2-hydroxypropyl-[2-[4-(2-hydroxypropyl)piperazin-1-yl]ethyl]amino]ethyl]amino]ethyl]amino]butan-2-ol.
What is the SMILES notation for 1-[2-hydroxypropyl-[2-[2-hydroxypropyl-[2-[2-hydroxypropyl-[2-[4-(2-hydroxypropyl)piperazin-1-yl]ethyl]amino]ethyl]amino]ethyl]amino]butan-2-ol?
The canonical SMILES for 1-[2-hydroxypropyl-[2-[2-hydroxypropyl-[2-[2-hydroxypropyl-[2-[4-(2-hydroxypropyl)piperazin-1-yl]ethyl]amino]ethyl]amino]ethyl]amino]butan-2-ol is CCC(O)CN(CCN(CCN(CCN1CCN(CC(C)O)CC1)CC(C)O)CC(C)O)CC(C)O.
What is the InChIKey of 1-[2-hydroxypropyl-[2-[2-hydroxypropyl-[2-[2-hydroxypropyl-[2-[4-(2-hydroxypropyl)piperazin-1-yl]ethyl]amino]ethyl]amino]ethyl]amino]butan-2-ol?
The InChIKey is OBTXFWVLEDWJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H57N5O5/c1-6-26(36)21-31(20-25(5)35)16-15-30(19-24(4)34)14-13-29(18-23(3)33)12-9-27-7-10-28(11-8-27)17-22(2)32/h22-26,32-36H,6-21H2,1-5H3.
What are the key properties of 1-[2-hydroxypropyl-[2-[2-hydroxypropyl-[2-[2-hydroxypropyl-[2-[4-(2-hydroxypropyl)piperazin-1-yl]ethyl]amino]ethyl]amino]ethyl]amino]butan-2-ol?
1-[2-hydroxypropyl-[2-[2-hydroxypropyl-[2-[2-hydroxypropyl-[2-[4-(2-hydroxypropyl)piperazin-1-yl]ethyl]amino]ethyl]amino]ethyl]amino]butan-2-ol has a molecular weight of 519.77 g/mol, XLogP of -1.20, 20 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxypropyl-[2-[2-hydroxypropyl-[2-[2-hydroxypropyl-[2-[4-(2-hydroxypropyl)piperazin-1-yl]ethyl]amino]ethyl]amino]ethyl]amino]butan-2-ol is sourced from PubChem (CID 91079735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).