bis(4-methyl-1-[3-methyl-3-(4-methylphenyl)butyl]piperidin-4-ol);hydrochloride

C36H59ClN2O2 — CID 158147093

IUPACbis(4-methyl-1-[3-methyl-3-(4-methylphenyl)butyl]piperidin-4-ol);hydrochloride
SMILESCc1ccc(C(C)(C)CCN2CCC(C)(O)CC2)cc1.Cc1ccc(C(C)(C)CCN2CCC(C)(O)CC2)cc1.Cl
InChIInChI=1S/2C18H29NO.ClH/c2*1-15-5-7-16(8-6-15)17(2,3)9-12-19-13-10-18(4,20)11-14-19;/h2*5-8,20H,9-14H2,1-4H3;1H
InChIKeyMWWMIGNQELDMBU-UHFFFAOYSA-N
MW587.33 g/mol
LogP7.44
Rot. Bonds8

About bis(4-methyl-1-[3-methyl-3-(4-methylphenyl)butyl]piperidin-4-ol);hydrochloride

bis(4-methyl-1-[3-methyl-3-(4-methylphenyl)butyl]piperidin-4-ol);hydrochloride (PubChem CID 158147093) has the molecular formula C36H59ClN2O2 and a molecular weight of 587.33 g/mol. Its IUPAC name is bis(4-methyl-1-[3-methyl-3-(4-methylphenyl)butyl]piperidin-4-ol);hydrochloride.

Molecular Properties

Compound Namebis(4-methyl-1-[3-methyl-3-(4-methylphenyl)butyl]piperidin-4-ol);hydrochloride
PubChem CID158147093
Molecular FormulaC36H59ClN2O2
Molecular Weight587.33 g/mol
Exact Mass586.43
IUPAC Namebis(4-methyl-1-[3-methyl-3-(4-methylphenyl)butyl]piperidin-4-ol);hydrochloride
SMILESCc1ccc(C(C)(C)CCN2CCC(C)(O)CC2)cc1.Cc1ccc(C(C)(C)CCN2CCC(C)(O)CC2)cc1.Cl
InChIInChI=1S/2C18H29NO.ClH/c2*1-15-5-7-16(8-6-15)17(2,3)9-12-19-13-10-18(4,20)11-14-19;/h2*5-8,20H,9-14H2,1-4H3;1H
InChIKeyMWWMIGNQELDMBU-UHFFFAOYSA-N
XLogP7.44
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.33
LogP ≤ 57.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-diphenylbutanenitrile
CID 154841334
4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
CID 80702504
1-[(1,5-dimethylindol-3-yl)methyl]-4-methylpiperidin-4-ol
CID 170792929
2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(4-methylphenyl)acetamide
CID 103728385
4-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylbutanimidamide
CID 81097525
4-methyl-4-(4-methylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]pentanamide
CID 110305480
ethyl 4-(3-methyl-3-phenylbutyl)piperazine-1-carboxylate
CID 14649429
1-(2-cyclopropylethyl)-4-methylpiperidin-4-ol
CID 80702616
3-(4-hydroxy-4-methylpiperidin-1-yl)-1-(3-methylphenyl)propan-1-one
CID 81103969
1-[3-hydroxy-3-(3-methylphenyl)propyl]-4-methylpiperidin-4-ol
CID 81116306
4-cyclobutyl-1-[3-methyl-3-[4-(trifluoromethyl)phenyl]butyl]piperidine
CID 142475097
5-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanethioamide
CID 81098207

Frequently Asked Questions

What is the IUPAC name of bis(4-methyl-1-[3-methyl-3-(4-methylphenyl)butyl]piperidin-4-ol);hydrochloride?
The IUPAC name of bis(4-methyl-1-[3-methyl-3-(4-methylphenyl)butyl]piperidin-4-ol);hydrochloride (CID 158147093) is bis(4-methyl-1-[3-methyl-3-(4-methylphenyl)butyl]piperidin-4-ol);hydrochloride.
What is the SMILES notation for bis(4-methyl-1-[3-methyl-3-(4-methylphenyl)butyl]piperidin-4-ol);hydrochloride?
The canonical SMILES for bis(4-methyl-1-[3-methyl-3-(4-methylphenyl)butyl]piperidin-4-ol);hydrochloride is Cc1ccc(C(C)(C)CCN2CCC(C)(O)CC2)cc1.Cc1ccc(C(C)(C)CCN2CCC(C)(O)CC2)cc1.Cl.
What is the InChIKey of bis(4-methyl-1-[3-methyl-3-(4-methylphenyl)butyl]piperidin-4-ol);hydrochloride?
The InChIKey is MWWMIGNQELDMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H29NO.ClH/c2*1-15-5-7-16(8-6-15)17(2,3)9-12-19-13-10-18(4,20)11-14-19;/h2*5-8,20H,9-14H2,1-4H3;1H.
What are the key properties of bis(4-methyl-1-[3-methyl-3-(4-methylphenyl)butyl]piperidin-4-ol);hydrochloride?
bis(4-methyl-1-[3-methyl-3-(4-methylphenyl)butyl]piperidin-4-ol);hydrochloride has a molecular weight of 587.33 g/mol, XLogP of 7.44, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methyl-1-[3-methyl-3-(4-methylphenyl)butyl]piperidin-4-ol);hydrochloride is sourced from PubChem (CID 158147093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).