1-(4-ethylpiperidin-2-yl)-3-methoxy-3-methylbutan-1-ol

C13H27NO2 — CID 106676148

IUPAC1-(4-ethylpiperidin-2-yl)-3-methoxy-3-methylbutan-1-ol
SMILESCCC1CCNC(C(O)CC(C)(C)OC)C1
InChIInChI=1S/C13H27NO2/c1-5-10-6-7-14-11(8-10)12(15)9-13(2,3)16-4/h10-12,14-15H,5-9H2,1-4H3
InChIKeyRRVQDTQUSVMHLA-UHFFFAOYSA-N
MW229.36 g/mol
LogP1.94
Rot. Bonds5

About 1-(4-ethylpiperidin-2-yl)-3-methoxy-3-methylbutan-1-ol

1-(4-ethylpiperidin-2-yl)-3-methoxy-3-methylbutan-1-ol (PubChem CID 106676148) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 1-(4-ethylpiperidin-2-yl)-3-methoxy-3-methylbutan-1-ol.

Molecular Properties

Compound Name1-(4-ethylpiperidin-2-yl)-3-methoxy-3-methylbutan-1-ol
PubChem CID106676148
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name1-(4-ethylpiperidin-2-yl)-3-methoxy-3-methylbutan-1-ol
SMILESCCC1CCNC(C(O)CC(C)(C)OC)C1
InChIInChI=1S/C13H27NO2/c1-5-10-6-7-14-11(8-10)12(15)9-13(2,3)16-4/h10-12,14-15H,5-9H2,1-4H3
InChIKeyRRVQDTQUSVMHLA-UHFFFAOYSA-N
XLogP1.94
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethylpiperidin-2-yl)-pyrrolidin-2-ylmethanol
CID 106639933
4-ethyl-2-(3-methoxy-3-methylbutyl)piperidine
CID 103037375
2-butan-2-yl-4-ethylpiperidine
CID 79444187
1-(4-ethylpiperidin-2-yl)-3,3-dimethylbutan-2-ol
CID 114426002
3-(4-ethylpiperidin-2-yl)pentane-2,4-dione
CID 114425874
[4-(difluoromethyl)phenyl]-(4-ethylpiperidin-2-yl)methanol
CID 115525040
1-(azetidin-2-yl)-2-methoxyethanol
CID 115007059
(4-chloro-2-fluorophenyl)-(4-ethylpiperidin-2-yl)methanol
CID 114852894
(3-cyclopropylimidazol-4-yl)-(4-ethylpiperidin-2-yl)methanol
CID 66140858
(2-bromo-5-chlorophenyl)-(4-ethylpiperidin-2-yl)methanol
CID 66156284
(2S)-2-[(4-ethylpiperidine-2-carbonyl)amino]-4-methoxy-4-oxobutanoic acid
CID 104921912
1-(3-ethylcyclopentyl)-4-methoxy-4-methylpentan-1-amine
CID 103035740

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperidin-2-yl)-3-methoxy-3-methylbutan-1-ol?
The IUPAC name of 1-(4-ethylpiperidin-2-yl)-3-methoxy-3-methylbutan-1-ol (CID 106676148) is 1-(4-ethylpiperidin-2-yl)-3-methoxy-3-methylbutan-1-ol.
What is the SMILES notation for 1-(4-ethylpiperidin-2-yl)-3-methoxy-3-methylbutan-1-ol?
The canonical SMILES for 1-(4-ethylpiperidin-2-yl)-3-methoxy-3-methylbutan-1-ol is CCC1CCNC(C(O)CC(C)(C)OC)C1.
What is the InChIKey of 1-(4-ethylpiperidin-2-yl)-3-methoxy-3-methylbutan-1-ol?
The InChIKey is RRVQDTQUSVMHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-5-10-6-7-14-11(8-10)12(15)9-13(2,3)16-4/h10-12,14-15H,5-9H2,1-4H3.
What are the key properties of 1-(4-ethylpiperidin-2-yl)-3-methoxy-3-methylbutan-1-ol?
1-(4-ethylpiperidin-2-yl)-3-methoxy-3-methylbutan-1-ol has a molecular weight of 229.36 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperidin-2-yl)-3-methoxy-3-methylbutan-1-ol is sourced from PubChem (CID 106676148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).