2-[1-(2-aminoethyl)-5-(2,2-dimethylpropylamino)piperidin-3-yl]-1-cyclopropylethanol

C17H35N3O — CID 83995501

IUPAC2-[1-(2-aminoethyl)-5-(2,2-dimethylpropylamino)piperidin-3-yl]-1-cyclopropylethanol
SMILESCC(C)(C)CNC1CC(CC(O)C2CC2)CN(CCN)C1
InChIInChI=1S/C17H35N3O/c1-17(2,3)12-19-15-8-13(9-16(21)14-4-5-14)10-20(11-15)7-6-18/h13-16,19,21H,4-12,18H2,1-3H3
InChIKeyLQRJTMANPUMWBX-UHFFFAOYSA-N
MW297.49 g/mol
LogP1.43
Rot. Bonds7

About 2-[1-(2-aminoethyl)-5-(2,2-dimethylpropylamino)piperidin-3-yl]-1-cyclopropylethanol

2-[1-(2-aminoethyl)-5-(2,2-dimethylpropylamino)piperidin-3-yl]-1-cyclopropylethanol (PubChem CID 83995501) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is 2-[1-(2-aminoethyl)-5-(2,2-dimethylpropylamino)piperidin-3-yl]-1-cyclopropylethanol.

Molecular Properties

Compound Name2-[1-(2-aminoethyl)-5-(2,2-dimethylpropylamino)piperidin-3-yl]-1-cyclopropylethanol
PubChem CID83995501
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC Name2-[1-(2-aminoethyl)-5-(2,2-dimethylpropylamino)piperidin-3-yl]-1-cyclopropylethanol
SMILESCC(C)(C)CNC1CC(CC(O)C2CC2)CN(CCN)C1
InChIInChI=1S/C17H35N3O/c1-17(2,3)12-19-15-8-13(9-16(21)14-4-5-14)10-20(11-15)7-6-18/h13-16,19,21H,4-12,18H2,1-3H3
InChIKeyLQRJTMANPUMWBX-UHFFFAOYSA-N
XLogP1.43
TPSA61.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-Methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol
CID 83992077
3-Methyl-1-[1-methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol
CID 83992078
3,3-Dimethyl-1-[1-methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol
CID 83992079
1-Cyclopropyl-2-[1-methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
CID 83992080
1-[1-Ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol
CID 83992116
1-[1-Ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]-3-methylbutan-2-ol
CID 83992117
1-[1-Ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]-3,3-dimethylbutan-2-ol
CID 83992118
1-Cyclopropyl-2-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
CID 83992119
1-[1-Propyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol
CID 83992145
3-Methyl-1-[1-propyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol
CID 83992146
1-Cyclopropyl-2-[1-propyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
CID 83992147
1-[1-(2-Methylpropyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol
CID 83992167

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-aminoethyl)-5-(2,2-dimethylpropylamino)piperidin-3-yl]-1-cyclopropylethanol?
The IUPAC name of 2-[1-(2-aminoethyl)-5-(2,2-dimethylpropylamino)piperidin-3-yl]-1-cyclopropylethanol (CID 83995501) is 2-[1-(2-aminoethyl)-5-(2,2-dimethylpropylamino)piperidin-3-yl]-1-cyclopropylethanol.
What is the SMILES notation for 2-[1-(2-aminoethyl)-5-(2,2-dimethylpropylamino)piperidin-3-yl]-1-cyclopropylethanol?
The canonical SMILES for 2-[1-(2-aminoethyl)-5-(2,2-dimethylpropylamino)piperidin-3-yl]-1-cyclopropylethanol is CC(C)(C)CNC1CC(CC(O)C2CC2)CN(CCN)C1.
What is the InChIKey of 2-[1-(2-aminoethyl)-5-(2,2-dimethylpropylamino)piperidin-3-yl]-1-cyclopropylethanol?
The InChIKey is LQRJTMANPUMWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O/c1-17(2,3)12-19-15-8-13(9-16(21)14-4-5-14)10-20(11-15)7-6-18/h13-16,19,21H,4-12,18H2,1-3H3.
What are the key properties of 2-[1-(2-aminoethyl)-5-(2,2-dimethylpropylamino)piperidin-3-yl]-1-cyclopropylethanol?
2-[1-(2-aminoethyl)-5-(2,2-dimethylpropylamino)piperidin-3-yl]-1-cyclopropylethanol has a molecular weight of 297.49 g/mol, XLogP of 1.43, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-aminoethyl)-5-(2,2-dimethylpropylamino)piperidin-3-yl]-1-cyclopropylethanol is sourced from PubChem (CID 83995501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).