4-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)butan-1-ol

C13H29N3O — CID 64796209

IUPAC4-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)butan-1-ol
SMILESCCNC(CO)CCN1CCC(N(C)C)CC1
InChIInChI=1S/C13H29N3O/c1-4-14-12(11-17)5-8-16-9-6-13(7-10-16)15(2)3/h12-14,17H,4-11H2,1-3H3
InChIKeyPHDRBTTUOBAAQS-UHFFFAOYSA-N
MW243.39 g/mol
LogP0.37
Rot. Bonds7

About 4-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)butan-1-ol

4-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)butan-1-ol (PubChem CID 64796209) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 4-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)butan-1-ol.

Molecular Properties

Compound Name4-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)butan-1-ol
PubChem CID64796209
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name4-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)butan-1-ol
SMILESCCNC(CO)CCN1CCC(N(C)C)CC1
InChIInChI=1S/C13H29N3O/c1-4-14-12(11-17)5-8-16-9-6-13(7-10-16)15(2)3/h12-14,17H,4-11H2,1-3H3
InChIKeyPHDRBTTUOBAAQS-UHFFFAOYSA-N
XLogP0.37
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)butan-1-ol?
The IUPAC name of 4-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)butan-1-ol (CID 64796209) is 4-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)butan-1-ol.
What is the SMILES notation for 4-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)butan-1-ol?
The canonical SMILES for 4-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)butan-1-ol is CCNC(CO)CCN1CCC(N(C)C)CC1.
What is the InChIKey of 4-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)butan-1-ol?
The InChIKey is PHDRBTTUOBAAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-4-14-12(11-17)5-8-16-9-6-13(7-10-16)15(2)3/h12-14,17H,4-11H2,1-3H3.
What are the key properties of 4-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)butan-1-ol?
4-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)butan-1-ol has a molecular weight of 243.39 g/mol, XLogP of 0.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)butan-1-ol is sourced from PubChem (CID 64796209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).