3-[1-(1-ethylpiperidin-4-yl)ethylamino]-2-methylsulfanylbutan-1-ol

C14H30N2OS — CID 106158702

IUPAC3-[1-(1-ethylpiperidin-4-yl)ethylamino]-2-methylsulfanylbutan-1-ol
SMILESCCN1CCC(C(C)NC(C)C(CO)SC)CC1
InChIInChI=1S/C14H30N2OS/c1-5-16-8-6-13(7-9-16)11(2)15-12(3)14(10-17)18-4/h11-15,17H,5-10H2,1-4H3
InChIKeyDXQRFRDVSLRLAN-UHFFFAOYSA-N
MW274.47 g/mol
LogP1.81
Rot. Bonds7

About 3-[1-(1-ethylpiperidin-4-yl)ethylamino]-2-methylsulfanylbutan-1-ol

3-[1-(1-ethylpiperidin-4-yl)ethylamino]-2-methylsulfanylbutan-1-ol (PubChem CID 106158702) has the molecular formula C14H30N2OS and a molecular weight of 274.47 g/mol. Its IUPAC name is 3-[1-(1-ethylpiperidin-4-yl)ethylamino]-2-methylsulfanylbutan-1-ol.

Molecular Properties

Compound Name3-[1-(1-ethylpiperidin-4-yl)ethylamino]-2-methylsulfanylbutan-1-ol
PubChem CID106158702
Molecular FormulaC14H30N2OS
Molecular Weight274.47 g/mol
Exact Mass274.21
IUPAC Name3-[1-(1-ethylpiperidin-4-yl)ethylamino]-2-methylsulfanylbutan-1-ol
SMILESCCN1CCC(C(C)NC(C)C(CO)SC)CC1
InChIInChI=1S/C14H30N2OS/c1-5-16-8-6-13(7-9-16)11(2)15-12(3)14(10-17)18-4/h11-15,17H,5-10H2,1-4H3
InChIKeyDXQRFRDVSLRLAN-UHFFFAOYSA-N
XLogP1.81
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.47
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(1-methylpiperidin-4-yl)ethylamino]-2-methylsulfanylbutan-1-ol
CID 103785232
2-[1-(1-ethylpiperidin-4-yl)ethylamino]-4-methoxybutan-1-ol
CID 114210339
1-(1-ethylpiperidin-4-yl)ethanol
CID 588327
3-(1-ethylpiperidin-4-yl)-2-methylpropan-1-ol
CID 83983052
2-[1-(1-ethylpiperidin-4-yl)ethylamino]-3-methylbutanamide
CID 106344149
2-[1-(1-propylpiperidin-4-yl)ethylamino]propan-1-ol
CID 43499437
N-[1-(1-ethylpiperidin-4-yl)ethyl]octan-4-amine
CID 106023059
1-(1-ethylpiperidin-4-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine
CID 61473504
4-[1-(1-ethylpiperidin-4-yl)ethylamino]butan-2-ol
CID 64913210
4-[1-[1-(1-ethylpiperidin-4-yl)ethylamino]ethyl]benzonitrile
CID 43692381
1-(1-ethylpiperidin-4-yl)-N-[(1R)-1-(4-methylphenyl)ethyl]ethanamine
CID 81349060
N-[(1R)-1-cycloheptylethyl]-1-ethylpiperidin-4-amine
CID 81391096

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-ethylpiperidin-4-yl)ethylamino]-2-methylsulfanylbutan-1-ol?
The IUPAC name of 3-[1-(1-ethylpiperidin-4-yl)ethylamino]-2-methylsulfanylbutan-1-ol (CID 106158702) is 3-[1-(1-ethylpiperidin-4-yl)ethylamino]-2-methylsulfanylbutan-1-ol.
What is the SMILES notation for 3-[1-(1-ethylpiperidin-4-yl)ethylamino]-2-methylsulfanylbutan-1-ol?
The canonical SMILES for 3-[1-(1-ethylpiperidin-4-yl)ethylamino]-2-methylsulfanylbutan-1-ol is CCN1CCC(C(C)NC(C)C(CO)SC)CC1.
What is the InChIKey of 3-[1-(1-ethylpiperidin-4-yl)ethylamino]-2-methylsulfanylbutan-1-ol?
The InChIKey is DXQRFRDVSLRLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2OS/c1-5-16-8-6-13(7-9-16)11(2)15-12(3)14(10-17)18-4/h11-15,17H,5-10H2,1-4H3.
What are the key properties of 3-[1-(1-ethylpiperidin-4-yl)ethylamino]-2-methylsulfanylbutan-1-ol?
3-[1-(1-ethylpiperidin-4-yl)ethylamino]-2-methylsulfanylbutan-1-ol has a molecular weight of 274.47 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-ethylpiperidin-4-yl)ethylamino]-2-methylsulfanylbutan-1-ol is sourced from PubChem (CID 106158702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).