4-[[3-[3-(4-ethylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]methylamino]cyclohexan-1-ol

C22H37N3O3 — CID 45188341

IUPAC4-[[3-[3-(4-ethylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]methylamino]cyclohexan-1-ol
SMILESCCN1CCN(CC(O)COc2cccc(CNC3CCC(O)CC3)c2)CC1
InChIInChI=1S/C22H37N3O3/c1-2-24-10-12-25(13-11-24)16-21(27)17-28-22-5-3-4-18(14-22)15-23-19-6-8-20(26)9-7-19/h3-5,14,19-21,23,26-27H,2,6-13,15-17H2,1H3
InChIKeySKGJIQBBSMPRRP-UHFFFAOYSA-N
MW391.56 g/mol
LogP1.46
Rot. Bonds9

About 4-[[3-[3-(4-ethylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]methylamino]cyclohexan-1-ol

4-[[3-[3-(4-ethylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]methylamino]cyclohexan-1-ol (PubChem CID 45188341) has the molecular formula C22H37N3O3 and a molecular weight of 391.56 g/mol. Its IUPAC name is 4-[[3-[3-(4-ethylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[3-[3-(4-ethylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]methylamino]cyclohexan-1-ol
PubChem CID45188341
Molecular FormulaC22H37N3O3
Molecular Weight391.56 g/mol
Exact Mass391.28
IUPAC Name4-[[3-[3-(4-ethylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]methylamino]cyclohexan-1-ol
SMILESCCN1CCN(CC(O)COc2cccc(CNC3CCC(O)CC3)c2)CC1
InChIInChI=1S/C22H37N3O3/c1-2-24-10-12-25(13-11-24)16-21(27)17-28-22-5-3-4-18(14-22)15-23-19-6-8-20(26)9-7-19/h3-5,14,19-21,23,26-27H,2,6-13,15-17H2,1H3
InChIKeySKGJIQBBSMPRRP-UHFFFAOYSA-N
XLogP1.46
TPSA68.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.56
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[[3-[3-(4-ethylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]methylamino]cyclohexan-1-ol with MolForge

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Related Compounds

(2S)-1-(4-ethylpiperazin-1-yl)-3-[3-[[(3-methoxyphenyl)methylamino]methyl]phenoxy]propan-2-ol
CID 92641169
(2R)-1-[3-[[cyclopropylmethyl(methyl)amino]methyl]phenoxy]-3-(4-ethylpiperazin-1-yl)propan-2-ol
CID 97274159
(2R)-1-(4-ethylpiperazin-1-yl)-3-(3-methoxyphenoxy)propan-2-ol
CID 737489
1-[(2S)-2-hydroxy-3-[3-[(3-propan-2-yloxypropylamino)methyl]phenoxy]propyl]piperidin-4-ol
CID 42513203
1-[4-[(cycloheptylamino)methyl]-2-methoxyphenoxy]-3-(4-ethylpiperazin-1-yl)propan-2-ol
CID 45239803
1-cyclopentyl-3-[3-[(cyclopropylamino)methyl]phenoxy]propan-2-ol
CID 103156399
4-[[3-[(2S)-2-hydroxy-3-piperidin-1-ylpropoxy]-4-methoxyphenyl]methylamino]cyclohexan-1-ol
CID 26327292
1-[2-[[3-[3-(4-ethylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]methylamino]ethyl]piperidin-2-one
CID 45175842
(2S)-1-[4-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]piperazin-1-yl]-3-(3-methylphenoxy)propan-2-ol
CID 1119168
1-[3-[[3-cyclopentylpropyl(methyl)amino]methyl]phenoxy]-3-(4-ethylpiperazin-1-yl)propan-2-ol
CID 45195045
1-[3-[(cyclopentylamino)methyl]phenoxy]-3-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 90335442
1-(4-ethylpiperazin-1-yl)-3-[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenoxy]propan-2-ol
CID 45208391

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[3-(4-ethylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]methylamino]cyclohexan-1-ol?
The IUPAC name of 4-[[3-[3-(4-ethylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]methylamino]cyclohexan-1-ol (CID 45188341) is 4-[[3-[3-(4-ethylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]methylamino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[3-[3-(4-ethylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]methylamino]cyclohexan-1-ol?
The canonical SMILES for 4-[[3-[3-(4-ethylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]methylamino]cyclohexan-1-ol is CCN1CCN(CC(O)COc2cccc(CNC3CCC(O)CC3)c2)CC1.
What is the InChIKey of 4-[[3-[3-(4-ethylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]methylamino]cyclohexan-1-ol?
The InChIKey is SKGJIQBBSMPRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N3O3/c1-2-24-10-12-25(13-11-24)16-21(27)17-28-22-5-3-4-18(14-22)15-23-19-6-8-20(26)9-7-19/h3-5,14,19-21,23,26-27H,2,6-13,15-17H2,1H3.
What are the key properties of 4-[[3-[3-(4-ethylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]methylamino]cyclohexan-1-ol?
4-[[3-[3-(4-ethylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]methylamino]cyclohexan-1-ol has a molecular weight of 391.56 g/mol, XLogP of 1.46, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[3-(4-ethylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]methylamino]cyclohexan-1-ol is sourced from PubChem (CID 45188341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).