1-(4-ethylpiperidin-1-yl)-4,4-dimethylpentan-3-ol

C14H29NO — CID 62623574

IUPAC1-(4-ethylpiperidin-1-yl)-4,4-dimethylpentan-3-ol
SMILESCCC1CCN(CCC(O)C(C)(C)C)CC1
InChIInChI=1S/C14H29NO/c1-5-12-6-9-15(10-7-12)11-8-13(16)14(2,3)4/h12-13,16H,5-11H2,1-4H3
InChIKeyJTZILSJXUJYSSP-UHFFFAOYSA-N
MW227.39 g/mol
LogP2.91
Rot. Bonds4

About 1-(4-ethylpiperidin-1-yl)-4,4-dimethylpentan-3-ol

1-(4-ethylpiperidin-1-yl)-4,4-dimethylpentan-3-ol (PubChem CID 62623574) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 1-(4-ethylpiperidin-1-yl)-4,4-dimethylpentan-3-ol.

Molecular Properties

Compound Name1-(4-ethylpiperidin-1-yl)-4,4-dimethylpentan-3-ol
PubChem CID62623574
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name1-(4-ethylpiperidin-1-yl)-4,4-dimethylpentan-3-ol
SMILESCCC1CCN(CCC(O)C(C)(C)C)CC1
InChIInChI=1S/C14H29NO/c1-5-12-6-9-15(10-7-12)11-8-13(16)14(2,3)4/h12-13,16H,5-11H2,1-4H3
InChIKeyJTZILSJXUJYSSP-UHFFFAOYSA-N
XLogP2.91
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(methoxymethyl)pyrrolidin-1-yl]-4,4-dimethylpentan-3-ol
CID 64581992
4-ethyl-1-(3-methylhexyl)piperidine
CID 176984647
1-amino-4-(4-ethylpiperidin-1-yl)butan-2-ol
CID 64818908
1-(4-cyclopropylpiperazin-1-yl)-4,4-dimethylpentan-3-ol
CID 62623930
1-[3-(dimethylamino)pyrrolidin-1-yl]-4,4-dimethylpentan-3-ol
CID 63169311
1-(3-methoxypyrrolidin-1-yl)-4,4-dimethylpentan-3-ol
CID 103539229
4,4-dimethyl-1-morpholin-4-ylpentan-3-ol
CID 62622858
4,4-dimethyl-1-(1-oxo-1,4-thiazinan-4-yl)pentan-3-ol
CID 62625148
3,3-dimethyl-1-(4-propylpiperidin-1-yl)butan-2-ol
CID 62205780
4,4-dimethyl-1-(4-methyl-1,4-diazepan-1-yl)pentan-3-ol
CID 62624803
ethane;2-(4-ethylpiperidin-1-yl)ethanol
CID 143029211
4,4-dimethyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pentan-3-ol
CID 81200552

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperidin-1-yl)-4,4-dimethylpentan-3-ol?
The IUPAC name of 1-(4-ethylpiperidin-1-yl)-4,4-dimethylpentan-3-ol (CID 62623574) is 1-(4-ethylpiperidin-1-yl)-4,4-dimethylpentan-3-ol.
What is the SMILES notation for 1-(4-ethylpiperidin-1-yl)-4,4-dimethylpentan-3-ol?
The canonical SMILES for 1-(4-ethylpiperidin-1-yl)-4,4-dimethylpentan-3-ol is CCC1CCN(CCC(O)C(C)(C)C)CC1.
What is the InChIKey of 1-(4-ethylpiperidin-1-yl)-4,4-dimethylpentan-3-ol?
The InChIKey is JTZILSJXUJYSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-5-12-6-9-15(10-7-12)11-8-13(16)14(2,3)4/h12-13,16H,5-11H2,1-4H3.
What are the key properties of 1-(4-ethylpiperidin-1-yl)-4,4-dimethylpentan-3-ol?
1-(4-ethylpiperidin-1-yl)-4,4-dimethylpentan-3-ol has a molecular weight of 227.39 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperidin-1-yl)-4,4-dimethylpentan-3-ol is sourced from PubChem (CID 62623574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).