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

C12H27N3O — CID 83990763

IUPAC1-[1-(2-aminoethyl)-5-(ethylamino)piperidin-3-yl]propan-1-ol
SMILESCCNC1CC(C(O)CC)CN(CCN)C1
InChIInChI=1S/C12H27N3O/c1-3-12(16)10-7-11(14-4-2)9-15(8-10)6-5-13/h10-12,14,16H,3-9,13H2,1-2H3
InChIKeyPBRLNGXEOZNSEV-UHFFFAOYSA-N
MW229.37 g/mol
LogP0.02
Rot. Bonds6

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

1-[1-(2-aminoethyl)-5-(ethylamino)piperidin-3-yl]propan-1-ol (PubChem CID 83990763) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 1-[1-(2-aminoethyl)-5-(ethylamino)piperidin-3-yl]propan-1-ol.

Molecular Properties

Compound Name1-[1-(2-aminoethyl)-5-(ethylamino)piperidin-3-yl]propan-1-ol
PubChem CID83990763
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name1-[1-(2-aminoethyl)-5-(ethylamino)piperidin-3-yl]propan-1-ol
SMILESCCNC1CC(C(O)CC)CN(CCN)C1
InChIInChI=1S/C12H27N3O/c1-3-12(16)10-7-11(14-4-2)9-15(8-10)6-5-13/h10-12,14,16H,3-9,13H2,1-2H3
InChIKeyPBRLNGXEOZNSEV-UHFFFAOYSA-N
XLogP0.02
TPSA61.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-ethyl-5-(ethylamino)piperidin-3-yl]propan-1-ol
CID 83990205
tert-butyl N-[1-(2-aminoethyl)-5-(1-hydroxypropyl)piperidin-3-yl]carbamate
CID 112544878
1-[1-(2-hydroxyethyl)-5-(methylamino)piperidin-3-yl]propan-1-ol
CID 83990104
1-[1-(2-aminoethyl)-5-(ethylamino)piperidin-3-yl]-3-methylbutan-2-ol
CID 83990765
1-[5-(ethylamino)-1-(2-hydroxyethyl)piperidin-3-yl]ethanol
CID 83990738
1-[1-(2-hydroxyethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol
CID 83992705
1-(2-aminoethyl)-N-ethyl-5-propylpiperidin-3-amine
CID 83990747
3-[3-(ethylamino)-5-(1-hydroxyethyl)piperidin-1-yl]propanoic acid
CID 83990640
N-[5-(1-hydroxypropyl)-1-propylpiperidin-3-yl]-2-methylpropanamide
CID 112542596
1-[5-(benzylamino)-1-butylpiperidin-3-yl]propan-1-ol
CID 112541373
1-[5-(ethylamino)-1-methylpiperidin-3-yl]ethanol
CID 83990165
2-[3-(1-hydroxypropyl)-5-(propylamino)piperidin-1-yl]acetic acid
CID 83991296

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-aminoethyl)-5-(ethylamino)piperidin-3-yl]propan-1-ol?
The IUPAC name of 1-[1-(2-aminoethyl)-5-(ethylamino)piperidin-3-yl]propan-1-ol (CID 83990763) is 1-[1-(2-aminoethyl)-5-(ethylamino)piperidin-3-yl]propan-1-ol.
What is the SMILES notation for 1-[1-(2-aminoethyl)-5-(ethylamino)piperidin-3-yl]propan-1-ol?
The canonical SMILES for 1-[1-(2-aminoethyl)-5-(ethylamino)piperidin-3-yl]propan-1-ol is CCNC1CC(C(O)CC)CN(CCN)C1.
What is the InChIKey of 1-[1-(2-aminoethyl)-5-(ethylamino)piperidin-3-yl]propan-1-ol?
The InChIKey is PBRLNGXEOZNSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-3-12(16)10-7-11(14-4-2)9-15(8-10)6-5-13/h10-12,14,16H,3-9,13H2,1-2H3.
What are the key properties of 1-[1-(2-aminoethyl)-5-(ethylamino)piperidin-3-yl]propan-1-ol?
1-[1-(2-aminoethyl)-5-(ethylamino)piperidin-3-yl]propan-1-ol has a molecular weight of 229.37 g/mol, XLogP of 0.02, 6 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]propan-1-ol is sourced from PubChem (CID 83990763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).