[1-[[2,4-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-3-ethylpiperidin-3-yl]methanol

C23H39N3O — CID 70766194

IUPAC[1-[[2,4-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-3-ethylpiperidin-3-yl]methanol
SMILESCCC1(CO)CCCN(Cc2cc(CN3CCN(C)CC3)c(C)cc2C)C1
InChIInChI=1S/C23H39N3O/c1-5-23(18-27)7-6-8-26(17-23)16-22-14-21(19(2)13-20(22)3)15-25-11-9-24(4)10-12-25/h13-14,27H,5-12,15-18H2,1-4H3
InChIKeyYJFPWLVFKLLVCS-UHFFFAOYSA-N
MW373.59 g/mol
LogP3.04
Rot. Bonds6

About [1-[[2,4-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-3-ethylpiperidin-3-yl]methanol

[1-[[2,4-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-3-ethylpiperidin-3-yl]methanol (PubChem CID 70766194) has the molecular formula C23H39N3O and a molecular weight of 373.59 g/mol. Its IUPAC name is [1-[[2,4-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-3-ethylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[[2,4-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-3-ethylpiperidin-3-yl]methanol
PubChem CID70766194
Molecular FormulaC23H39N3O
Molecular Weight373.59 g/mol
Exact Mass373.31
IUPAC Name[1-[[2,4-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-3-ethylpiperidin-3-yl]methanol
SMILESCCC1(CO)CCCN(Cc2cc(CN3CCN(C)CC3)c(C)cc2C)C1
InChIInChI=1S/C23H39N3O/c1-5-23(18-27)7-6-8-26(17-23)16-22-14-21(19(2)13-20(22)3)15-25-11-9-24(4)10-12-25/h13-14,27H,5-12,15-18H2,1-4H3
InChIKeyYJFPWLVFKLLVCS-UHFFFAOYSA-N
XLogP3.04
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.59
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-[[2,4-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-3-ethylpiperidin-3-yl]methanol with MolForge

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Related Compounds

2-[4-[[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2,4-dimethylphenyl]methyl]piperazin-1-yl]ethanol
CID 15413989
[(3R)-3-ethyl-3-(hydroxymethyl)piperidin-1-yl]-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 97128497
[(3R)-3-(2-methoxyethyl)-1-[(6-methyl-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]methanol
CID 97146559
[(3R)-1-[(2,5-dimethylphenyl)methyl]-3-(3-methoxypropyl)piperidin-3-yl]methanol
CID 97119620
[(3S)-1-[(2,5-dimethylphenyl)methyl]-3-(3-methoxypropyl)piperidin-3-yl]methanol
CID 97119619
[(3S)-3-[(2-fluorophenyl)methyl]-1-[(2-methylphenyl)methyl]piperidin-3-yl]methanol
CID 26392732
[1-[(4-fluoro-2-methylphenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol
CID 72863231
2-[[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]methyl]-3-methylquinazolin-4-one
CID 126794965
[1-[(2-methoxyphenyl)methyl]-3-[(2-methylphenyl)methyl]piperidin-3-yl]methanol
CID 45213151
[1-[(1-benzylimidazol-2-yl)methyl]-3-ethylpiperidin-3-yl]methanol
CID 70756981
1-[[2,4-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]pyrrolidine-3-carboxylic acid
CID 91838509
1-[[5-[[(3S)-3-(methoxymethyl)piperidin-1-yl]methyl]-2,4-dimethylphenyl]methyl]-4-methylpiperazine
CID 99935685

Frequently Asked Questions

What is the IUPAC name of [1-[[2,4-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-3-ethylpiperidin-3-yl]methanol?
The IUPAC name of [1-[[2,4-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-3-ethylpiperidin-3-yl]methanol (CID 70766194) is [1-[[2,4-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-3-ethylpiperidin-3-yl]methanol.
What is the SMILES notation for [1-[[2,4-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-3-ethylpiperidin-3-yl]methanol?
The canonical SMILES for [1-[[2,4-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-3-ethylpiperidin-3-yl]methanol is CCC1(CO)CCCN(Cc2cc(CN3CCN(C)CC3)c(C)cc2C)C1.
What is the InChIKey of [1-[[2,4-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-3-ethylpiperidin-3-yl]methanol?
The InChIKey is YJFPWLVFKLLVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N3O/c1-5-23(18-27)7-6-8-26(17-23)16-22-14-21(19(2)13-20(22)3)15-25-11-9-24(4)10-12-25/h13-14,27H,5-12,15-18H2,1-4H3.
What are the key properties of [1-[[2,4-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-3-ethylpiperidin-3-yl]methanol?
[1-[[2,4-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-3-ethylpiperidin-3-yl]methanol has a molecular weight of 373.59 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2,4-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-3-ethylpiperidin-3-yl]methanol is sourced from PubChem (CID 70766194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).