1-(2,6-dimethylpiperidin-1-yl)-3-(4-propylphenoxy)propan-2-ol

C19H31NO2 — CID 3615080

IUPAC1-(2,6-dimethylpiperidin-1-yl)-3-(4-propylphenoxy)propan-2-ol
SMILESCCCc1ccc(OCC(O)CN2C(C)CCCC2C)cc1
InChIInChI=1S/C19H31NO2/c1-4-6-17-9-11-19(12-10-17)22-14-18(21)13-20-15(2)7-5-8-16(20)3/h9-12,15-16,18,21H,4-8,13-14H2,1-3H3
InChIKeyZSUACPZCTXTOEL-UHFFFAOYSA-N
MW305.46 g/mol
LogP3.64
Rot. Bonds7

About 1-(2,6-dimethylpiperidin-1-yl)-3-(4-propylphenoxy)propan-2-ol

1-(2,6-dimethylpiperidin-1-yl)-3-(4-propylphenoxy)propan-2-ol (PubChem CID 3615080) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is 1-(2,6-dimethylpiperidin-1-yl)-3-(4-propylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2,6-dimethylpiperidin-1-yl)-3-(4-propylphenoxy)propan-2-ol
PubChem CID3615080
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Name1-(2,6-dimethylpiperidin-1-yl)-3-(4-propylphenoxy)propan-2-ol
SMILESCCCc1ccc(OCC(O)CN2C(C)CCCC2C)cc1
InChIInChI=1S/C19H31NO2/c1-4-6-17-9-11-19(12-10-17)22-14-18(21)13-20-15(2)7-5-8-16(20)3/h9-12,15-16,18,21H,4-8,13-14H2,1-3H3
InChIKeyZSUACPZCTXTOEL-UHFFFAOYSA-N
XLogP3.64
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-3-[4-[(2S)-3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 124721948
(2S)-1-(4-aminophenoxy)-3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-2-ol
CID 7064800
(2S)-1-(4-aminophenoxy)-3-[(2R,6R)-2,6-dimethylpiperidin-1-yl]propan-2-ol
CID 7064804
(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 34065291
1-[4-[(2S)-3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropoxy]phenyl]propan-1-one
CID 51566506
(2S)-1-(4-methylpiperidin-1-yl)-3-(4-propylphenoxy)propan-2-ol
CID 753615
(2S)-1-(4-cyclohexylphenoxy)-3-[(2R,6R)-2,6-dimethylpiperidin-1-yl]propan-2-ol
CID 6559964
1-(4-cyclohexylphenoxy)-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol;hydrochloride
CID 16798569
(2S)-1-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-3-(4-propylphenoxy)propan-2-ol
CID 11909069
1-piperidin-1-yl-3-(4-propylphenoxy)propan-2-ol chloride
CID 21237668
(2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-2-ol
CID 34065973
1-(2,3-dihydro-1H-inden-5-yloxy)-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol
CID 3412059

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-3-(4-propylphenoxy)propan-2-ol?
The IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-3-(4-propylphenoxy)propan-2-ol (CID 3615080) is 1-(2,6-dimethylpiperidin-1-yl)-3-(4-propylphenoxy)propan-2-ol.
What is the SMILES notation for 1-(2,6-dimethylpiperidin-1-yl)-3-(4-propylphenoxy)propan-2-ol?
The canonical SMILES for 1-(2,6-dimethylpiperidin-1-yl)-3-(4-propylphenoxy)propan-2-ol is CCCc1ccc(OCC(O)CN2C(C)CCCC2C)cc1.
What is the InChIKey of 1-(2,6-dimethylpiperidin-1-yl)-3-(4-propylphenoxy)propan-2-ol?
The InChIKey is ZSUACPZCTXTOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2/c1-4-6-17-9-11-19(12-10-17)22-14-18(21)13-20-15(2)7-5-8-16(20)3/h9-12,15-16,18,21H,4-8,13-14H2,1-3H3.
What are the key properties of 1-(2,6-dimethylpiperidin-1-yl)-3-(4-propylphenoxy)propan-2-ol?
1-(2,6-dimethylpiperidin-1-yl)-3-(4-propylphenoxy)propan-2-ol has a molecular weight of 305.46 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpiperidin-1-yl)-3-(4-propylphenoxy)propan-2-ol is sourced from PubChem (CID 3615080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).