1-[cyclohexyl(methyl)amino]-3-[3-[(4-ethylpiperazin-1-yl)methyl]phenoxy]propan-2-ol

C23H39N3O2 — CID 45211246

IUPAC1-[cyclohexyl(methyl)amino]-3-[3-[(4-ethylpiperazin-1-yl)methyl]phenoxy]propan-2-ol
SMILESCCN1CCN(Cc2cccc(OCC(O)CN(C)C3CCCCC3)c2)CC1
InChIInChI=1S/C23H39N3O2/c1-3-25-12-14-26(15-13-25)17-20-8-7-11-23(16-20)28-19-22(27)18-24(2)21-9-5-4-6-10-21/h7-8,11,16,21-22,27H,3-6,9-10,12-15,17-19H2,1-2H3
InChIKeyWSQGDUKZGMPSPP-UHFFFAOYSA-N
MW389.58 g/mol
LogP2.83
Rot. Bonds9

About 1-[cyclohexyl(methyl)amino]-3-[3-[(4-ethylpiperazin-1-yl)methyl]phenoxy]propan-2-ol

1-[cyclohexyl(methyl)amino]-3-[3-[(4-ethylpiperazin-1-yl)methyl]phenoxy]propan-2-ol (PubChem CID 45211246) has the molecular formula C23H39N3O2 and a molecular weight of 389.58 g/mol. Its IUPAC name is 1-[cyclohexyl(methyl)amino]-3-[3-[(4-ethylpiperazin-1-yl)methyl]phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[cyclohexyl(methyl)amino]-3-[3-[(4-ethylpiperazin-1-yl)methyl]phenoxy]propan-2-ol
PubChem CID45211246
Molecular FormulaC23H39N3O2
Molecular Weight389.58 g/mol
Exact Mass389.30
IUPAC Name1-[cyclohexyl(methyl)amino]-3-[3-[(4-ethylpiperazin-1-yl)methyl]phenoxy]propan-2-ol
SMILESCCN1CCN(Cc2cccc(OCC(O)CN(C)C3CCCCC3)c2)CC1
InChIInChI=1S/C23H39N3O2/c1-3-25-12-14-26(15-13-25)17-20-8-7-11-23(16-20)28-19-22(27)18-24(2)21-9-5-4-6-10-21/h7-8,11,16,21-22,27H,3-6,9-10,12-15,17-19H2,1-2H3
InChIKeyWSQGDUKZGMPSPP-UHFFFAOYSA-N
XLogP2.83
TPSA39.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.58
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[cyclohexyl(methyl)amino]-3-[3-[(4-ethylpiperazin-1-yl)methyl]phenoxy]propan-2-ol with MolForge

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Related Compounds

3-[4-[[3-[3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]phenyl]methyl]piperazin-1-yl]propanamide
CID 45239518
1-[3-(aminomethyl)phenoxy]-3-[cyclohexyl(methyl)amino]propan-2-ol
CID 43253511
1-[(1-ethylpiperidin-4-yl)-methylamino]-3-phenoxypropan-2-ol
CID 111106340
(2R)-1-[cyclohexyl(methyl)amino]-3-[3-[[methyl-[(5-methyl-1H-pyrazol-4-yl)methyl]amino]methyl]phenoxy]propan-2-ol
CID 97280507
(2S)-1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-(piperidin-1-ylmethyl)phenoxy]propan-2-ol
CID 97279782
1-[cyclohexyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol
CID 2919622
3-[3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]benzonitrile
CID 43288694
1-[cyclobutyl(methyl)amino]-3-phenoxypropan-2-ol
CID 111488962
(2S)-1-(azepan-1-yl)-3-[3-[(4-fluoropiperidin-1-yl)methyl]phenoxy]propan-2-ol
CID 97285581
(2R)-1-(azepan-1-yl)-3-[3-[(4-fluoropiperidin-1-yl)methyl]phenoxy]propan-2-ol
CID 97285580
(2S)-3-[3-(piperidin-1-ylmethyl)phenoxy]propane-1,2-diol
CID 70943120
(2R)-1-[3-[[cyclopropylmethyl(methyl)amino]methyl]phenoxy]-3-(4-ethylpiperazin-1-yl)propan-2-ol
CID 97274159

Frequently Asked Questions

What is the IUPAC name of 1-[cyclohexyl(methyl)amino]-3-[3-[(4-ethylpiperazin-1-yl)methyl]phenoxy]propan-2-ol?
The IUPAC name of 1-[cyclohexyl(methyl)amino]-3-[3-[(4-ethylpiperazin-1-yl)methyl]phenoxy]propan-2-ol (CID 45211246) is 1-[cyclohexyl(methyl)amino]-3-[3-[(4-ethylpiperazin-1-yl)methyl]phenoxy]propan-2-ol.
What is the SMILES notation for 1-[cyclohexyl(methyl)amino]-3-[3-[(4-ethylpiperazin-1-yl)methyl]phenoxy]propan-2-ol?
The canonical SMILES for 1-[cyclohexyl(methyl)amino]-3-[3-[(4-ethylpiperazin-1-yl)methyl]phenoxy]propan-2-ol is CCN1CCN(Cc2cccc(OCC(O)CN(C)C3CCCCC3)c2)CC1.
What is the InChIKey of 1-[cyclohexyl(methyl)amino]-3-[3-[(4-ethylpiperazin-1-yl)methyl]phenoxy]propan-2-ol?
The InChIKey is WSQGDUKZGMPSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N3O2/c1-3-25-12-14-26(15-13-25)17-20-8-7-11-23(16-20)28-19-22(27)18-24(2)21-9-5-4-6-10-21/h7-8,11,16,21-22,27H,3-6,9-10,12-15,17-19H2,1-2H3.
What are the key properties of 1-[cyclohexyl(methyl)amino]-3-[3-[(4-ethylpiperazin-1-yl)methyl]phenoxy]propan-2-ol?
1-[cyclohexyl(methyl)amino]-3-[3-[(4-ethylpiperazin-1-yl)methyl]phenoxy]propan-2-ol has a molecular weight of 389.58 g/mol, XLogP of 2.83, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclohexyl(methyl)amino]-3-[3-[(4-ethylpiperazin-1-yl)methyl]phenoxy]propan-2-ol is sourced from PubChem (CID 45211246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).