4-[4-[1-(ethylamino)ethyl]piperidin-1-yl]-2-methylbutan-2-ol

C14H30N2O — CID 79359785

IUPAC4-[4-[1-(ethylamino)ethyl]piperidin-1-yl]-2-methylbutan-2-ol
SMILESCCNC(C)C1CCN(CCC(C)(C)O)CC1
InChIInChI=1S/C14H30N2O/c1-5-15-12(2)13-6-9-16(10-7-13)11-8-14(3,4)17/h12-13,15,17H,5-11H2,1-4H3
InChIKeyNKRXKZWFTWVEKA-UHFFFAOYSA-N
MW242.41 g/mol
LogP1.86
Rot. Bonds6

About 4-[4-[1-(ethylamino)ethyl]piperidin-1-yl]-2-methylbutan-2-ol

4-[4-[1-(ethylamino)ethyl]piperidin-1-yl]-2-methylbutan-2-ol (PubChem CID 79359785) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 4-[4-[1-(ethylamino)ethyl]piperidin-1-yl]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[4-[1-(ethylamino)ethyl]piperidin-1-yl]-2-methylbutan-2-ol
PubChem CID79359785
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name4-[4-[1-(ethylamino)ethyl]piperidin-1-yl]-2-methylbutan-2-ol
SMILESCCNC(C)C1CCN(CCC(C)(C)O)CC1
InChIInChI=1S/C14H30N2O/c1-5-15-12(2)13-6-9-16(10-7-13)11-8-14(3,4)17/h12-13,15,17H,5-11H2,1-4H3
InChIKeyNKRXKZWFTWVEKA-UHFFFAOYSA-N
XLogP1.86
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[1-(ethylamino)ethyl]piperidin-1-yl]-2-methylpropan-2-ol
CID 63853262
N-ethyl-1-[1-(3-methoxy-3-methylbutyl)piperidin-4-yl]ethanamine
CID 103032460
2-methyl-1-[1-(1-propylpiperidin-4-yl)ethylamino]pentan-2-ol
CID 106290472
2-methyl-4-(4-methylpiperidin-1-yl)butan-2-ol
CID 79316334
N-ethyl-1-[1-(2-propoxyethyl)piperidin-4-yl]ethanamine
CID 106448993
(1S)-1-cyclopropyl-N-ethylethanamine
CID 42056539
N-butan-2-yl-2-[4-[1-(ethylamino)ethyl]piperidin-1-yl]acetamide
CID 63852912
2-methyl-4-[4-(methylaminomethyl)piperidin-1-yl]butan-2-ol
CID 79356027
2-methyl-1-[4-[1-(methylamino)ethyl]piperidin-1-yl]propan-2-ol
CID 63854648
1-(3,3-dimethylbutyl)-4-propan-2-ylpiperidine
CID 135173969
1-cyclopropyl-N-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]ethanamine
CID 103503465
N-ethyl-1-[1-(3,3,3-trifluoropropyl)piperidin-3-yl]ethanamine
CID 64552883

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-(ethylamino)ethyl]piperidin-1-yl]-2-methylbutan-2-ol?
The IUPAC name of 4-[4-[1-(ethylamino)ethyl]piperidin-1-yl]-2-methylbutan-2-ol (CID 79359785) is 4-[4-[1-(ethylamino)ethyl]piperidin-1-yl]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[4-[1-(ethylamino)ethyl]piperidin-1-yl]-2-methylbutan-2-ol?
The canonical SMILES for 4-[4-[1-(ethylamino)ethyl]piperidin-1-yl]-2-methylbutan-2-ol is CCNC(C)C1CCN(CCC(C)(C)O)CC1.
What is the InChIKey of 4-[4-[1-(ethylamino)ethyl]piperidin-1-yl]-2-methylbutan-2-ol?
The InChIKey is NKRXKZWFTWVEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-5-15-12(2)13-6-9-16(10-7-13)11-8-14(3,4)17/h12-13,15,17H,5-11H2,1-4H3.
What are the key properties of 4-[4-[1-(ethylamino)ethyl]piperidin-1-yl]-2-methylbutan-2-ol?
4-[4-[1-(ethylamino)ethyl]piperidin-1-yl]-2-methylbutan-2-ol has a molecular weight of 242.41 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-(ethylamino)ethyl]piperidin-1-yl]-2-methylbutan-2-ol is sourced from PubChem (CID 79359785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).