1-[(2S,3R,4S,5S)-3-(4-methylpiperazin-1-yl)-5-morpholin-4-yl-4-piperazin-1-ylhexan-2-yl]piperidin-4-ol

C24H48N6O2 — CID 130178577

IUPAC1-[(2S,3R,4S,5S)-3-(4-methylpiperazin-1-yl)-5-morpholin-4-yl-4-piperazin-1-ylhexan-2-yl]piperidin-4-ol
SMILESC[C@@H]([C@@H]([C@@H]([C@H](C)N1CCC(O)CC1)N1CCN(C)CC1)N1CCNCC1)N1CCOCC1
InChIInChI=1S/C24H48N6O2/c1-20(27-8-4-22(31)5-9-27)24(30-14-12-26(3)13-15-30)23(29-10-6-25-7-11-29)21(2)28-16-18-32-19-17-28/h20-25,31H,4-19H2,1-3H3/t20-,21-,23-,24+/m0/s1
InChIKeyXWTGJGQLNRFEJO-HIGZBPRKSA-N
MW452.69 g/mol
LogP-0.56
Rot. Bonds7

About 1-[(2S,3R,4S,5S)-3-(4-methylpiperazin-1-yl)-5-morpholin-4-yl-4-piperazin-1-ylhexan-2-yl]piperidin-4-ol

1-[(2S,3R,4S,5S)-3-(4-methylpiperazin-1-yl)-5-morpholin-4-yl-4-piperazin-1-ylhexan-2-yl]piperidin-4-ol (PubChem CID 130178577) has the molecular formula C24H48N6O2 and a molecular weight of 452.69 g/mol. Its IUPAC name is 1-[(2S,3R,4S,5S)-3-(4-methylpiperazin-1-yl)-5-morpholin-4-yl-4-piperazin-1-ylhexan-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(2S,3R,4S,5S)-3-(4-methylpiperazin-1-yl)-5-morpholin-4-yl-4-piperazin-1-ylhexan-2-yl]piperidin-4-ol
PubChem CID130178577
Molecular FormulaC24H48N6O2
Molecular Weight452.69 g/mol
Exact Mass452.38
IUPAC Name1-[(2S,3R,4S,5S)-3-(4-methylpiperazin-1-yl)-5-morpholin-4-yl-4-piperazin-1-ylhexan-2-yl]piperidin-4-ol
SMILESC[C@@H]([C@@H]([C@@H]([C@H](C)N1CCC(O)CC1)N1CCN(C)CC1)N1CCNCC1)N1CCOCC1
InChIInChI=1S/C24H48N6O2/c1-20(27-8-4-22(31)5-9-27)24(30-14-12-26(3)13-15-30)23(29-10-6-25-7-11-29)21(2)28-16-18-32-19-17-28/h20-25,31H,4-19H2,1-3H3/t20-,21-,23-,24+/m0/s1
InChIKeyXWTGJGQLNRFEJO-HIGZBPRKSA-N
XLogP-0.56
TPSA57.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.69
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[(2S,3R,4S,5S)-3-(4-methylpiperazin-1-yl)-5-morpholin-4-yl-4-piperazin-1-ylhexan-2-yl]piperidin-4-ol with MolForge

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Launch Full Analysis

Related Compounds

1-[4-[(1-Methylpiperidin-2-yl)methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 72011917
1-(2-Morpholin-4-ylethyl)piperidin-4-amine
CID 70274947
1-[(2S,3R,4R,5S,6S)-2-(4-methoxypiperidin-1-yl)-4-(4-methylpiperazin-1-yl)-6-morpholin-4-yl-5-piperazin-1-ylheptan-3-yl]piperidin-4-ol
CID 130178637
(3S,4R)-3-amino-1-[1-[(3S,4S)-3-amino-1-[1-[(3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-yl]oxy-2-methylpropan-2-yl]piperidin-4-yl]oxy-2-methylpropan-2-yl]piperidin-4-ol
CID 135213255
(2R,6S)-2-methyl-6-[[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methyl]morpholine
CID 141468104
(2R,6S)-2-methyl-6-[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]morpholine
CID 141468154
Ethane;1-ethyl-4-[2-(1-propylpiperidin-4-yl)oxyethyl]piperazine;1-[2-(1-propylpiperidin-4-yl)oxyethyl]piperazine
CID 156885090
Ethane;1-[2-(1-ethylpiperidin-4-yl)oxyethyl]-4-methylpiperazine;1-[2-(1-ethylpiperidin-4-yl)oxyethyl]piperazine
CID 156885685
1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperidin-4-ol;4-(1-tert-butylpiperidin-4-yl)-2,6-dimethylmorpholine;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;4-(1-tert-butylpiperidin-4-yl)morpholine;1-(1-tert-butylpiperidin-4-yl)piperazine;1-(1-tert-butylpiperidin-4-yl)-4-propan-2-ylpiperazine;1-tert-butyl-4-propan-2-ylpiperazine
CID 158097837
Azane;bis(4-piperidin-4-ylmorpholine);hydrate
CID 159154893
1,3-Di(piperazin-1-yl)propan-2-ol;1-(oxiran-2-ylmethyl)piperazine;1-piperazin-1-ylbutan-2-ol
CID 159747938
1-tert-butyl-4-methylpiperazine;N-tert-butyl-1-methylpiperidin-4-amine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpiperidin-4-ol
CID 159852569

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3R,4S,5S)-3-(4-methylpiperazin-1-yl)-5-morpholin-4-yl-4-piperazin-1-ylhexan-2-yl]piperidin-4-ol?
The IUPAC name of 1-[(2S,3R,4S,5S)-3-(4-methylpiperazin-1-yl)-5-morpholin-4-yl-4-piperazin-1-ylhexan-2-yl]piperidin-4-ol (CID 130178577) is 1-[(2S,3R,4S,5S)-3-(4-methylpiperazin-1-yl)-5-morpholin-4-yl-4-piperazin-1-ylhexan-2-yl]piperidin-4-ol.
What is the SMILES notation for 1-[(2S,3R,4S,5S)-3-(4-methylpiperazin-1-yl)-5-morpholin-4-yl-4-piperazin-1-ylhexan-2-yl]piperidin-4-ol?
The canonical SMILES for 1-[(2S,3R,4S,5S)-3-(4-methylpiperazin-1-yl)-5-morpholin-4-yl-4-piperazin-1-ylhexan-2-yl]piperidin-4-ol is C[C@@H]([C@@H]([C@@H]([C@H](C)N1CCC(O)CC1)N1CCN(C)CC1)N1CCNCC1)N1CCOCC1.
What is the InChIKey of 1-[(2S,3R,4S,5S)-3-(4-methylpiperazin-1-yl)-5-morpholin-4-yl-4-piperazin-1-ylhexan-2-yl]piperidin-4-ol?
The InChIKey is XWTGJGQLNRFEJO-HIGZBPRKSA-N. The full InChI is InChI=1S/C24H48N6O2/c1-20(27-8-4-22(31)5-9-27)24(30-14-12-26(3)13-15-30)23(29-10-6-25-7-11-29)21(2)28-16-18-32-19-17-28/h20-25,31H,4-19H2,1-3H3/t20-,21-,23-,24+/m0/s1.
What are the key properties of 1-[(2S,3R,4S,5S)-3-(4-methylpiperazin-1-yl)-5-morpholin-4-yl-4-piperazin-1-ylhexan-2-yl]piperidin-4-ol?
1-[(2S,3R,4S,5S)-3-(4-methylpiperazin-1-yl)-5-morpholin-4-yl-4-piperazin-1-ylhexan-2-yl]piperidin-4-ol has a molecular weight of 452.69 g/mol, XLogP of -0.56, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,3R,4S,5S)-3-(4-methylpiperazin-1-yl)-5-morpholin-4-yl-4-piperazin-1-ylhexan-2-yl]piperidin-4-ol is sourced from PubChem (CID 130178577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).