1-(4-methylpiperidin-1-yl)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol chloride

C19H31ClNO2- — CID 21237426

IUPAC1-(4-methylpiperidin-1-yl)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol chloride
SMILESCc1ccc(C(C)C)c(OCC(O)CN2CCC(C)CC2)c1.[Cl-]
InChIInChI=1S/C19H31NO2.ClH/c1-14(2)18-6-5-16(4)11-19(18)22-13-17(21)12-20-9-7-15(3)8-10-20;/h5-6,11,14-15,17,21H,7-10,12-13H2,1-4H3;1H/p-1
InChIKeySLVCBUCTRGRYDV-UHFFFAOYSA-M
MW340.92 g/mol
LogP0.59
Rot. Bonds6

About 1-(4-methylpiperidin-1-yl)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol chloride

1-(4-methylpiperidin-1-yl)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol chloride (PubChem CID 21237426) has the molecular formula C19H31ClNO2- and a molecular weight of 340.92 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol chloride.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol chloride
PubChem CID21237426
Molecular FormulaC19H31ClNO2-
Molecular Weight340.92 g/mol
Exact Mass340.20
IUPAC Name1-(4-methylpiperidin-1-yl)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol chloride
SMILESCc1ccc(C(C)C)c(OCC(O)CN2CCC(C)CC2)c1.[Cl-]
InChIInChI=1S/C19H31NO2.ClH/c1-14(2)18-6-5-16(4)11-19(18)22-13-17(21)12-20-9-7-15(3)8-10-20;/h5-6,11,14-15,17,21H,7-10,12-13H2,1-4H3;1H/p-1
InChIKeySLVCBUCTRGRYDV-UHFFFAOYSA-M
XLogP0.59
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.92
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol
CID 7079783
(2S)-1-(4-benzhydrylpiperazin-1-yl)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol
CID 51624788
1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol
CID 23940413
(2S)-1-(2-methylphenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 769296
(2S)-1-(2,5-dimethylphenoxy)-3-[4-[(2S)-3-(2,5-dimethylphenoxy)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 51629005
7-[2-hydroxy-3-(5-methyl-2-propan-2-ylphenoxy)propyl]-1,3-dimethyl-8-(4-methylpiperidin-1-yl)purine-2,6-dione
CID 16805284
2-[[1-[(2R)-2-hydroxy-3-(5-methyl-2-propan-2-ylphenoxy)propyl]piperidin-4-yl]methyl]benzo[de]isoquinoline-1,3-dione
CID 42443497
(2R)-1-(4-tert-butyl-2-methylphenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 2086476
1-(3,4-dimethylphenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol chloride
CID 21237821
1-(2,6-dimethylphenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol chloride
CID 21237803
1-(2-chlorophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 18823227
1-(2-bromophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 4085306

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol chloride?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol chloride (CID 21237426) is 1-(4-methylpiperidin-1-yl)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol chloride.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol chloride?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol chloride is Cc1ccc(C(C)C)c(OCC(O)CN2CCC(C)CC2)c1.[Cl-].
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol chloride?
The InChIKey is SLVCBUCTRGRYDV-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H31NO2.ClH/c1-14(2)18-6-5-16(4)11-19(18)22-13-17(21)12-20-9-7-15(3)8-10-20;/h5-6,11,14-15,17,21H,7-10,12-13H2,1-4H3;1H/p-1.
What are the key properties of 1-(4-methylpiperidin-1-yl)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol chloride?
1-(4-methylpiperidin-1-yl)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol chloride has a molecular weight of 340.92 g/mol, XLogP of 0.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol chloride is sourced from PubChem (CID 21237426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).