1-amino-2-cyclopropyl-3-(4-ethyl-3-methylpiperazin-1-yl)propan-2-ol

C13H27N3O — CID 64818702

IUPAC1-amino-2-cyclopropyl-3-(4-ethyl-3-methylpiperazin-1-yl)propan-2-ol
SMILESCCN1CCN(CC(O)(CN)C2CC2)CC1C
InChIInChI=1S/C13H27N3O/c1-3-16-7-6-15(8-11(16)2)10-13(17,9-14)12-4-5-12/h11-12,17H,3-10,14H2,1-2H3
InChIKeyJJFFNRVTIBDKDS-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.11
Rot. Bonds5

About 1-amino-2-cyclopropyl-3-(4-ethyl-3-methylpiperazin-1-yl)propan-2-ol

1-amino-2-cyclopropyl-3-(4-ethyl-3-methylpiperazin-1-yl)propan-2-ol (PubChem CID 64818702) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 1-amino-2-cyclopropyl-3-(4-ethyl-3-methylpiperazin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-amino-2-cyclopropyl-3-(4-ethyl-3-methylpiperazin-1-yl)propan-2-ol
PubChem CID64818702
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name1-amino-2-cyclopropyl-3-(4-ethyl-3-methylpiperazin-1-yl)propan-2-ol
SMILESCCN1CCN(CC(O)(CN)C2CC2)CC1C
InChIInChI=1S/C13H27N3O/c1-3-16-7-6-15(8-11(16)2)10-13(17,9-14)12-4-5-12/h11-12,17H,3-10,14H2,1-2H3
InChIKeyJJFFNRVTIBDKDS-UHFFFAOYSA-N
XLogP0.11
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-2-(ethylamino)-3-(4-ethyl-3-methylpiperazin-1-yl)propanoic acid
CID 63927044
2-cyclopropyl-3-(4-ethyl-3-methylpiperazin-1-yl)-2-(methylamino)propan-1-ol
CID 64788433
2-cyclopropyl-3-(4-ethyl-3-methylpiperazin-1-yl)-2-(methylamino)propanoic acid
CID 63927246
3-(4-ethyl-3-methylpiperazin-1-yl)-2,2-dimethylpropanoic acid
CID 63621092
2-cyclopropyl-3-(4-ethyl-3-methylpiperazin-1-yl)-2-(propylamino)propanoic acid
CID 63927663
1-amino-2-cyclopropyl-3-[4-(dimethylamino)piperidin-1-yl]propan-2-ol
CID 64821112
1-amino-2-cyclopropyl-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propan-2-ol
CID 104969021
1-(4-ethyl-3-methylpiperazin-1-yl)-3,3-dimethylbutan-2-one
CID 63609263
2-(4-ethyl-3-methylpiperazin-1-yl)-2-methylpropan-1-amine
CID 63610457
4-(4-ethyl-3-methylpiperazin-1-yl)-2-methoxybutan-1-amine
CID 103152536
1-cyclohexyl-2-(4-ethyl-3-methylpiperazin-1-yl)ethanone
CID 104750771
1-amino-2-cyclopropyl-3-(3,3-dimethylpiperidin-1-yl)propan-2-ol
CID 64821615

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-cyclopropyl-3-(4-ethyl-3-methylpiperazin-1-yl)propan-2-ol?
The IUPAC name of 1-amino-2-cyclopropyl-3-(4-ethyl-3-methylpiperazin-1-yl)propan-2-ol (CID 64818702) is 1-amino-2-cyclopropyl-3-(4-ethyl-3-methylpiperazin-1-yl)propan-2-ol.
What is the SMILES notation for 1-amino-2-cyclopropyl-3-(4-ethyl-3-methylpiperazin-1-yl)propan-2-ol?
The canonical SMILES for 1-amino-2-cyclopropyl-3-(4-ethyl-3-methylpiperazin-1-yl)propan-2-ol is CCN1CCN(CC(O)(CN)C2CC2)CC1C.
What is the InChIKey of 1-amino-2-cyclopropyl-3-(4-ethyl-3-methylpiperazin-1-yl)propan-2-ol?
The InChIKey is JJFFNRVTIBDKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-3-16-7-6-15(8-11(16)2)10-13(17,9-14)12-4-5-12/h11-12,17H,3-10,14H2,1-2H3.
What are the key properties of 1-amino-2-cyclopropyl-3-(4-ethyl-3-methylpiperazin-1-yl)propan-2-ol?
1-amino-2-cyclopropyl-3-(4-ethyl-3-methylpiperazin-1-yl)propan-2-ol has a molecular weight of 241.38 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-cyclopropyl-3-(4-ethyl-3-methylpiperazin-1-yl)propan-2-ol is sourced from PubChem (CID 64818702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).