4-(4-cyclopropylpiperazin-1-yl)-2-(ethylamino)butan-1-ol

C13H27N3O — CID 64827038

IUPAC4-(4-cyclopropylpiperazin-1-yl)-2-(ethylamino)butan-1-ol
SMILESCCNC(CO)CCN1CCN(C2CC2)CC1
InChIInChI=1S/C13H27N3O/c1-2-14-12(11-17)5-6-15-7-9-16(10-8-15)13-3-4-13/h12-14,17H,2-11H2,1H3
InChIKeyRUJJGHWWLPQLGN-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.13
Rot. Bonds7

About 4-(4-cyclopropylpiperazin-1-yl)-2-(ethylamino)butan-1-ol

4-(4-cyclopropylpiperazin-1-yl)-2-(ethylamino)butan-1-ol (PubChem CID 64827038) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 4-(4-cyclopropylpiperazin-1-yl)-2-(ethylamino)butan-1-ol.

Molecular Properties

Compound Name4-(4-cyclopropylpiperazin-1-yl)-2-(ethylamino)butan-1-ol
PubChem CID64827038
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name4-(4-cyclopropylpiperazin-1-yl)-2-(ethylamino)butan-1-ol
SMILESCCNC(CO)CCN1CCN(C2CC2)CC1
InChIInChI=1S/C13H27N3O/c1-2-14-12(11-17)5-6-15-7-9-16(10-8-15)13-3-4-13/h12-14,17H,2-11H2,1H3
InChIKeyRUJJGHWWLPQLGN-UHFFFAOYSA-N
XLogP0.13
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(ethylamino)butan-1-ol
CID 79924497
2-(ethylamino)-4-(4-methylpiperazin-1-yl)butan-1-ol
CID 64797363
6-(4-cyclopropylpiperazin-1-yl)-N-ethylhexan-3-amine
CID 106799531
4-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)butan-1-ol
CID 64796209
4-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)butan-1-ol
CID 64791854
2-(ethylamino)-4-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-ol
CID 64791294
1-(4-cyclopropylpiperazin-1-yl)-N-ethyl-4,4-dimethylpentan-3-amine
CID 62623024
4-(3,4-dimethylpiperazin-1-yl)-2-(ethylamino)butan-1-ol
CID 64791833
2-(methylamino)-4-(4-piperidin-1-ylpiperidin-1-yl)butan-1-ol
CID 64826674
3-(4-cyclopropylpiperazin-1-yl)-2-(methylamino)propan-1-ol
CID 64827046
4-(4-piperidin-1-ylpiperidin-1-yl)-2-(propan-2-ylamino)butan-1-ol
CID 64826874
2-(ethylamino)-3-(3-piperidin-1-ylpyrrolidin-1-yl)propan-1-ol
CID 64791906

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopropylpiperazin-1-yl)-2-(ethylamino)butan-1-ol?
The IUPAC name of 4-(4-cyclopropylpiperazin-1-yl)-2-(ethylamino)butan-1-ol (CID 64827038) is 4-(4-cyclopropylpiperazin-1-yl)-2-(ethylamino)butan-1-ol.
What is the SMILES notation for 4-(4-cyclopropylpiperazin-1-yl)-2-(ethylamino)butan-1-ol?
The canonical SMILES for 4-(4-cyclopropylpiperazin-1-yl)-2-(ethylamino)butan-1-ol is CCNC(CO)CCN1CCN(C2CC2)CC1.
What is the InChIKey of 4-(4-cyclopropylpiperazin-1-yl)-2-(ethylamino)butan-1-ol?
The InChIKey is RUJJGHWWLPQLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-2-14-12(11-17)5-6-15-7-9-16(10-8-15)13-3-4-13/h12-14,17H,2-11H2,1H3.
What are the key properties of 4-(4-cyclopropylpiperazin-1-yl)-2-(ethylamino)butan-1-ol?
4-(4-cyclopropylpiperazin-1-yl)-2-(ethylamino)butan-1-ol has a molecular weight of 241.38 g/mol, XLogP of 0.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopropylpiperazin-1-yl)-2-(ethylamino)butan-1-ol is sourced from PubChem (CID 64827038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).