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

C19H31ClNO2- — CID 21237412

IUPAC1-(3-methylpiperidin-1-yl)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol chloride
SMILESCc1cc(OCC(O)CN2CCCC(C)C2)ccc1C(C)C.[Cl-]
InChIInChI=1S/C19H31NO2.ClH/c1-14(2)19-8-7-18(10-16(19)4)22-13-17(21)12-20-9-5-6-15(3)11-20;/h7-8,10,14-15,17,21H,5-6,9,11-13H2,1-4H3;1H/p-1
InChIKeyMXXLBUQCTNKHKZ-UHFFFAOYSA-M
MW340.92 g/mol
LogP0.59
Rot. Bonds6

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

1-(3-methylpiperidin-1-yl)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol chloride (PubChem CID 21237412) has the molecular formula C19H31ClNO2- and a molecular weight of 340.92 g/mol. Its IUPAC name is 1-(3-methylpiperidin-1-yl)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol chloride.

Molecular Properties

Compound Name1-(3-methylpiperidin-1-yl)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol chloride
PubChem CID21237412
Molecular FormulaC19H31ClNO2-
Molecular Weight340.92 g/mol
Exact Mass340.20
IUPAC Name1-(3-methylpiperidin-1-yl)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol chloride
SMILESCc1cc(OCC(O)CN2CCCC(C)C2)ccc1C(C)C.[Cl-]
InChIInChI=1S/C19H31NO2.ClH/c1-14(2)19-8-7-18(10-16(19)4)22-13-17(21)12-20-9-5-6-15(3)11-20;/h7-8,10,14-15,17,21H,5-6,9,11-13H2,1-4H3;1H/p-1
InChIKeyMXXLBUQCTNKHKZ-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

(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
CID 42443332
1-(azepan-1-yl)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol;hydrochloride
CID 2853018
(2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
CID 6544613
(2S)-1-[(3S)-3-methylpiperidin-1-yl]-3-phenoxypropan-2-ol
CID 7447463
(2S)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
CID 782845
1-(3,4-dimethylphenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol chloride
CID 21237821
(2S)-1-[(3S)-3-methylpiperidin-1-yl]-3-(4-phenylphenoxy)propan-2-ol
CID 51422999
1-[4-[(2S)-2-hydroxy-3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]ethanone
CID 7125581
3-[2-hydroxy-3-(3-methylpiperidin-1-yl)propoxy]benzonitrile
CID 43288589
1-(4-benzhydrylpiperazin-1-yl)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol dichloride
CID 21237413
N-[4-[(2S)-2-hydroxy-3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]acetamide
CID 51422944
1-(3-methylpiperidin-1-yl)-3-(2,3,5-trimethylphenoxy)propan-2-ol;hydrochloride
CID 16798660

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpiperidin-1-yl)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol chloride?
The IUPAC name of 1-(3-methylpiperidin-1-yl)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol chloride (CID 21237412) is 1-(3-methylpiperidin-1-yl)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol chloride.
What is the SMILES notation for 1-(3-methylpiperidin-1-yl)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol chloride?
The canonical SMILES for 1-(3-methylpiperidin-1-yl)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol chloride is Cc1cc(OCC(O)CN2CCCC(C)C2)ccc1C(C)C.[Cl-].
What is the InChIKey of 1-(3-methylpiperidin-1-yl)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol chloride?
The InChIKey is MXXLBUQCTNKHKZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H31NO2.ClH/c1-14(2)19-8-7-18(10-16(19)4)22-13-17(21)12-20-9-5-6-15(3)11-20;/h7-8,10,14-15,17,21H,5-6,9,11-13H2,1-4H3;1H/p-1.
What are the key properties of 1-(3-methylpiperidin-1-yl)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol chloride?
1-(3-methylpiperidin-1-yl)-3-(3-methyl-4-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-(3-methylpiperidin-1-yl)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol chloride is sourced from PubChem (CID 21237412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).