[1-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-2-yl]methanol

C17H29N3O4S — CID 45221955

IUPAC[1-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-2-yl]methanol
SMILESCOCCn1c(CN2CCCCC2CO)cnc1S(=O)(=O)CC1CC1
InChIInChI=1S/C17H29N3O4S/c1-24-9-8-20-16(11-19-7-3-2-4-15(19)12-21)10-18-17(20)25(22,23)13-14-5-6-14/h10,14-15,21H,2-9,11-13H2,1H3
InChIKeyYTTLPISYUGTPGK-UHFFFAOYSA-N
MW371.50 g/mol
LogP1.06
Rot. Bonds9

About [1-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-2-yl]methanol

[1-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-2-yl]methanol (PubChem CID 45221955) has the molecular formula C17H29N3O4S and a molecular weight of 371.50 g/mol. Its IUPAC name is [1-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-2-yl]methanol
PubChem CID45221955
Molecular FormulaC17H29N3O4S
Molecular Weight371.50 g/mol
Exact Mass371.19
IUPAC Name[1-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-2-yl]methanol
SMILESCOCCn1c(CN2CCCCC2CO)cnc1S(=O)(=O)CC1CC1
InChIInChI=1S/C17H29N3O4S/c1-24-9-8-20-16(11-19-7-3-2-4-15(19)12-21)10-18-17(20)25(22,23)13-14-5-6-14/h10,14-15,21H,2-9,11-13H2,1H3
InChIKeyYTTLPISYUGTPGK-UHFFFAOYSA-N
XLogP1.06
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.50
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-(2-methoxyethyl)piperazine
CID 30722807
4-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]thiomorpholine
CID 25278404
2-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl-methylamino]ethanol
CID 42596697
1-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-2-methylpiperidine
CID 45202844
N-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-(cyclopropylmethyl)propan-1-amine
CID 25286342
3-[1-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-2-yl]pyridine
CID 45207226
2-[1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrrolidin-2-yl]pyridine
CID 45252050
[1-[[2-benzylsulfonyl-3-(2-methylpropyl)imidazol-4-yl]methyl]piperidin-2-yl]methanol
CID 45250713
(1S)-N-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-pyridin-2-ylethanamine
CID 42528647
3-[(2S)-1-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]piperidin-2-yl]pyridine
CID 42196622
ethyl (2S)-1-[[2-cyclopentylsulfonyl-3-(3-methoxypropyl)imidazol-4-yl]methyl]piperidine-2-carboxylate
CID 42197048
3-[(2S)-1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-2-yl]propan-1-ol
CID 25285752

Frequently Asked Questions

What is the IUPAC name of [1-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-2-yl]methanol (CID 45221955) is [1-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-2-yl]methanol is COCCn1c(CN2CCCCC2CO)cnc1S(=O)(=O)CC1CC1.
What is the InChIKey of [1-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-2-yl]methanol?
The InChIKey is YTTLPISYUGTPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O4S/c1-24-9-8-20-16(11-19-7-3-2-4-15(19)12-21)10-18-17(20)25(22,23)13-14-5-6-14/h10,14-15,21H,2-9,11-13H2,1H3.
What are the key properties of [1-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-2-yl]methanol?
[1-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-2-yl]methanol has a molecular weight of 371.50 g/mol, XLogP of 1.06, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-2-yl]methanol is sourced from PubChem (CID 45221955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).