1-[1-(2-aminoethyl)-5-(ethylamino)piperidin-3-yl]-3-methylbutan-2-ol

C14H31N3O — CID 83990765

IUPAC1-[1-(2-aminoethyl)-5-(ethylamino)piperidin-3-yl]-3-methylbutan-2-ol
SMILESCCNC1CC(CC(O)C(C)C)CN(CCN)C1
InChIInChI=1S/C14H31N3O/c1-4-16-13-7-12(8-14(18)11(2)3)9-17(10-13)6-5-15/h11-14,16,18H,4-10,15H2,1-3H3
InChIKeyVFZSMAOYUGETOR-UHFFFAOYSA-N
MW257.42 g/mol
LogP0.65
Rot. Bonds7

About 1-[1-(2-aminoethyl)-5-(ethylamino)piperidin-3-yl]-3-methylbutan-2-ol

1-[1-(2-aminoethyl)-5-(ethylamino)piperidin-3-yl]-3-methylbutan-2-ol (PubChem CID 83990765) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is 1-[1-(2-aminoethyl)-5-(ethylamino)piperidin-3-yl]-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-[1-(2-aminoethyl)-5-(ethylamino)piperidin-3-yl]-3-methylbutan-2-ol
PubChem CID83990765
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC Name1-[1-(2-aminoethyl)-5-(ethylamino)piperidin-3-yl]-3-methylbutan-2-ol
SMILESCCNC1CC(CC(O)C(C)C)CN(CCN)C1
InChIInChI=1S/C14H31N3O/c1-4-16-13-7-12(8-14(18)11(2)3)9-17(10-13)6-5-15/h11-14,16,18H,4-10,15H2,1-3H3
InChIKeyVFZSMAOYUGETOR-UHFFFAOYSA-N
XLogP0.65
TPSA61.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-aminoethyl)-5-(2,2-difluoroethylamino)piperidin-3-yl]-3-methylbutan-2-ol
CID 83993425
1-(2-aminoethyl)-N-ethyl-5-propylpiperidin-3-amine
CID 83990747
1-[1-ethyl-5-(2-methylpropylamino)piperidin-3-yl]-3-methylbutan-2-ol
CID 83994194
1-[5-(cyclopropylamino)-1-propylpiperidin-3-yl]-3-methylbutan-2-ol
CID 83991508
1-[1-(2-aminoethyl)-5-(ethylamino)piperidin-3-yl]propan-1-ol
CID 83990763
1-[1-(2-aminoethyl)-5-(cyclopropylmethylamino)piperidin-3-yl]butan-2-ol
CID 83996881
1-[5-(ethylamino)-1-propylpiperidin-3-yl]butan-2-ol
CID 83990235
3-methyl-1-[1-methyl-5-(propylamino)piperidin-3-yl]butan-2-ol
CID 83990804
methyl N-[5-(2-hydroxy-3-methylbutyl)-1-propylpiperidin-3-yl]carbamate
CID 112543067
1-[1-(2-aminoethyl)-5-(cyclopentylmethylamino)piperidin-3-yl]butan-2-ol
CID 83998265
1-cyclopropyl-2-[5-(ethylamino)-1-(2-hydroxyethyl)piperidin-3-yl]ethanol
CID 83990741
2-[1-(2-aminoethyl)-5-(2,2-dimethylpropylamino)piperidin-3-yl]-1-cyclopropylethanol
CID 83995501

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-aminoethyl)-5-(ethylamino)piperidin-3-yl]-3-methylbutan-2-ol?
The IUPAC name of 1-[1-(2-aminoethyl)-5-(ethylamino)piperidin-3-yl]-3-methylbutan-2-ol (CID 83990765) is 1-[1-(2-aminoethyl)-5-(ethylamino)piperidin-3-yl]-3-methylbutan-2-ol.
What is the SMILES notation for 1-[1-(2-aminoethyl)-5-(ethylamino)piperidin-3-yl]-3-methylbutan-2-ol?
The canonical SMILES for 1-[1-(2-aminoethyl)-5-(ethylamino)piperidin-3-yl]-3-methylbutan-2-ol is CCNC1CC(CC(O)C(C)C)CN(CCN)C1.
What is the InChIKey of 1-[1-(2-aminoethyl)-5-(ethylamino)piperidin-3-yl]-3-methylbutan-2-ol?
The InChIKey is VFZSMAOYUGETOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O/c1-4-16-13-7-12(8-14(18)11(2)3)9-17(10-13)6-5-15/h11-14,16,18H,4-10,15H2,1-3H3.
What are the key properties of 1-[1-(2-aminoethyl)-5-(ethylamino)piperidin-3-yl]-3-methylbutan-2-ol?
1-[1-(2-aminoethyl)-5-(ethylamino)piperidin-3-yl]-3-methylbutan-2-ol has a molecular weight of 257.42 g/mol, XLogP of 0.65, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-aminoethyl)-5-(ethylamino)piperidin-3-yl]-3-methylbutan-2-ol is sourced from PubChem (CID 83990765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).