1-(3,5-dimethylpiperidin-1-yl)-3-(4-methoxy-2-prop-2-enylphenoxy)propan-2-ol

C20H31NO3 — CID 3415675

IUPAC1-(3,5-dimethylpiperidin-1-yl)-3-(4-methoxy-2-prop-2-enylphenoxy)propan-2-ol
SMILESC=CCc1cc(OC)ccc1OCC(O)CN1CC(C)CC(C)C1
InChIInChI=1S/C20H31NO3/c1-5-6-17-10-19(23-4)7-8-20(17)24-14-18(22)13-21-11-15(2)9-16(3)12-21/h5,7-8,10,15-16,18,22H,1,6,9,11-14H2,2-4H3
InChIKeyUQCLISNAFXATMP-UHFFFAOYSA-N
MW333.47 g/mol
LogP3.14
Rot. Bonds8

About 1-(3,5-dimethylpiperidin-1-yl)-3-(4-methoxy-2-prop-2-enylphenoxy)propan-2-ol

1-(3,5-dimethylpiperidin-1-yl)-3-(4-methoxy-2-prop-2-enylphenoxy)propan-2-ol (PubChem CID 3415675) has the molecular formula C20H31NO3 and a molecular weight of 333.47 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperidin-1-yl)-3-(4-methoxy-2-prop-2-enylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(3,5-dimethylpiperidin-1-yl)-3-(4-methoxy-2-prop-2-enylphenoxy)propan-2-ol
PubChem CID3415675
Molecular FormulaC20H31NO3
Molecular Weight333.47 g/mol
Exact Mass333.23
IUPAC Name1-(3,5-dimethylpiperidin-1-yl)-3-(4-methoxy-2-prop-2-enylphenoxy)propan-2-ol
SMILESC=CCc1cc(OC)ccc1OCC(O)CN1CC(C)CC(C)C1
InChIInChI=1S/C20H31NO3/c1-5-6-17-10-19(23-4)7-8-20(17)24-14-18(22)13-21-11-15(2)9-16(3)12-21/h5,7-8,10,15-16,18,22H,1,6,9,11-14H2,2-4H3
InChIKeyUQCLISNAFXATMP-UHFFFAOYSA-N
XLogP3.14
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.47
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-methoxy-2-prop-2-enylphenoxy)propan-2-ol chloride
CID 53314590
(2S)-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-(3-methoxyphenoxy)propan-2-ol
CID 829491
(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-(3-methoxyphenoxy)propan-2-ol
CID 42219804
(2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 723040
1-(2,6-dimethylmorpholin-4-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol chloride
CID 21236664
1-(2-tert-butyl-4-methylphenoxy)-3-(3,5-dimethylpiperidin-1-yl)propan-2-ol
CID 3416270
1-(3,5-dimethylpiperidin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 4914511
(2R)-1-(4-bromophenoxy)-3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propan-2-ol
CID 42559881
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(2-prop-2-enylphenoxy)propan-2-ol;hydrochloride
CID 6602951
1-(4-tert-butylphenoxy)-3-(3,5-dimethylpiperidin-1-yl)propan-2-ol
CID 3415688
(2S)-1-(3,5-dimethylphenoxy)-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-ol
CID 93325171
1-[(2S)-3-[2-(azetidin-1-ylmethyl)-4-methoxyphenoxy]-2-hydroxypropyl]piperidin-4-ol
CID 97284935

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-3-(4-methoxy-2-prop-2-enylphenoxy)propan-2-ol?
The IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-3-(4-methoxy-2-prop-2-enylphenoxy)propan-2-ol (CID 3415675) is 1-(3,5-dimethylpiperidin-1-yl)-3-(4-methoxy-2-prop-2-enylphenoxy)propan-2-ol.
What is the SMILES notation for 1-(3,5-dimethylpiperidin-1-yl)-3-(4-methoxy-2-prop-2-enylphenoxy)propan-2-ol?
The canonical SMILES for 1-(3,5-dimethylpiperidin-1-yl)-3-(4-methoxy-2-prop-2-enylphenoxy)propan-2-ol is C=CCc1cc(OC)ccc1OCC(O)CN1CC(C)CC(C)C1.
What is the InChIKey of 1-(3,5-dimethylpiperidin-1-yl)-3-(4-methoxy-2-prop-2-enylphenoxy)propan-2-ol?
The InChIKey is UQCLISNAFXATMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO3/c1-5-6-17-10-19(23-4)7-8-20(17)24-14-18(22)13-21-11-15(2)9-16(3)12-21/h5,7-8,10,15-16,18,22H,1,6,9,11-14H2,2-4H3.
What are the key properties of 1-(3,5-dimethylpiperidin-1-yl)-3-(4-methoxy-2-prop-2-enylphenoxy)propan-2-ol?
1-(3,5-dimethylpiperidin-1-yl)-3-(4-methoxy-2-prop-2-enylphenoxy)propan-2-ol has a molecular weight of 333.47 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperidin-1-yl)-3-(4-methoxy-2-prop-2-enylphenoxy)propan-2-ol is sourced from PubChem (CID 3415675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).