(2S)-1-(4-methylpiperidin-1-yl)-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol

C19H31NO5 — CID 40604099

IUPAC(2S)-1-(4-methylpiperidin-1-yl)-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol
SMILESCOc1cc(COC[C@@H](O)CN2CCC(C)CC2)cc(OC)c1OC
InChIInChI=1S/C19H31NO5/c1-14-5-7-20(8-6-14)11-16(21)13-25-12-15-9-17(22-2)19(24-4)18(10-15)23-3/h9-10,14,16,21H,5-8,11-13H2,1-4H3/t16-/m0/s1
InChIKeyYAAFCTKXTHNSEV-INIZCTEOSA-N
MW353.46 g/mol
LogP2.32
Rot. Bonds9

About (2S)-1-(4-methylpiperidin-1-yl)-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol

(2S)-1-(4-methylpiperidin-1-yl)-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol (PubChem CID 40604099) has the molecular formula C19H31NO5 and a molecular weight of 353.46 g/mol. Its IUPAC name is (2S)-1-(4-methylpiperidin-1-yl)-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(4-methylpiperidin-1-yl)-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol
PubChem CID40604099
Molecular FormulaC19H31NO5
Molecular Weight353.46 g/mol
Exact Mass353.22
IUPAC Name(2S)-1-(4-methylpiperidin-1-yl)-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol
SMILESCOc1cc(COC[C@@H](O)CN2CCC(C)CC2)cc(OC)c1OC
InChIInChI=1S/C19H31NO5/c1-14-5-7-20(8-6-14)11-16(21)13-25-12-15-9-17(22-2)19(24-4)18(10-15)23-3/h9-10,14,16,21H,5-8,11-13H2,1-4H3/t16-/m0/s1
InChIKeyYAAFCTKXTHNSEV-INIZCTEOSA-N
XLogP2.32
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-1-(4-methylpiperidin-1-yl)-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol with MolForge

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Related Compounds

1-thiomorpholin-4-yl-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol chloride
CID 21237646
1-(4-methylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol
CID 2834350
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol dichloride
CID 21237473
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol
CID 2866603
1-[(2S)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide
CID 2537341
1-[(2R)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide
CID 2537339
1-(4-methylazepan-1-yl)-3-phenylmethoxypropan-2-ol
CID 62045632
(2S)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol
CID 34064926
(2S,3S)-1,4-bis[(3,4,5-trimethoxyphenyl)methoxy]butane-2,3-diol
CID 175639700
1-[3-(2-methoxyphenyl)pyrrolidin-1-yl]-3-phenylmethoxypropan-2-ol
CID 111437418
1-[(3,4-dimethoxyphenyl)methoxy]-3-morpholin-4-ylpropan-2-ol
CID 2769761
(2S)-1-[(2R)-2-methylpiperidin-1-ium-1-yl]-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol
CID 7818080

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-methylpiperidin-1-yl)-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol?
The IUPAC name of (2S)-1-(4-methylpiperidin-1-yl)-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol (CID 40604099) is (2S)-1-(4-methylpiperidin-1-yl)-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol.
What is the SMILES notation for (2S)-1-(4-methylpiperidin-1-yl)-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol?
The canonical SMILES for (2S)-1-(4-methylpiperidin-1-yl)-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol is COc1cc(COC[C@@H](O)CN2CCC(C)CC2)cc(OC)c1OC.
What is the InChIKey of (2S)-1-(4-methylpiperidin-1-yl)-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol?
The InChIKey is YAAFCTKXTHNSEV-INIZCTEOSA-N. The full InChI is InChI=1S/C19H31NO5/c1-14-5-7-20(8-6-14)11-16(21)13-25-12-15-9-17(22-2)19(24-4)18(10-15)23-3/h9-10,14,16,21H,5-8,11-13H2,1-4H3/t16-/m0/s1.
What are the key properties of (2S)-1-(4-methylpiperidin-1-yl)-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol?
(2S)-1-(4-methylpiperidin-1-yl)-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol has a molecular weight of 353.46 g/mol, XLogP of 2.32, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-methylpiperidin-1-yl)-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol is sourced from PubChem (CID 40604099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).