1-amino-2-cyclopropyl-3-[4-(dimethylamino)piperidin-1-yl]propan-2-ol

C13H27N3O — CID 64821112

IUPAC1-amino-2-cyclopropyl-3-[4-(dimethylamino)piperidin-1-yl]propan-2-ol
SMILESCN(C)C1CCN(CC(O)(CN)C2CC2)CC1
InChIInChI=1S/C13H27N3O/c1-15(2)12-5-7-16(8-6-12)10-13(17,9-14)11-3-4-11/h11-12,17H,3-10,14H2,1-2H3
InChIKeyZSJFJUHRIOKPRD-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.11
Rot. Bonds5

About 1-amino-2-cyclopropyl-3-[4-(dimethylamino)piperidin-1-yl]propan-2-ol

1-amino-2-cyclopropyl-3-[4-(dimethylamino)piperidin-1-yl]propan-2-ol (PubChem CID 64821112) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 1-amino-2-cyclopropyl-3-[4-(dimethylamino)piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-amino-2-cyclopropyl-3-[4-(dimethylamino)piperidin-1-yl]propan-2-ol
PubChem CID64821112
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name1-amino-2-cyclopropyl-3-[4-(dimethylamino)piperidin-1-yl]propan-2-ol
SMILESCN(C)C1CCN(CC(O)(CN)C2CC2)CC1
InChIInChI=1S/C13H27N3O/c1-15(2)12-5-7-16(8-6-12)10-13(17,9-14)11-3-4-11/h11-12,17H,3-10,14H2,1-2H3
InChIKeyZSJFJUHRIOKPRD-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

1-amino-2-cyclopropyl-3-(3,3-dimethylpiperidin-1-yl)propan-2-ol
CID 64821615
1-amino-2-cyclopropyl-3-[cyclopropyl(methyl)amino]propan-2-ol
CID 64820350
1-amino-2-cyclopropyl-3-(4-ethyl-3-methylpiperazin-1-yl)propan-2-ol
CID 64818702
1-(1-amino-2-methylpropan-2-yl)-N,N-dimethylpiperidin-4-amine
CID 43585866
2-cyclopropyl-3-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)propanoic acid
CID 63910516
2-cyclopropyl-2-(cyclopropylamino)-3-[4-(dimethylamino)piperidin-1-yl]propanamide
CID 63911504
2-amino-2-cyclopropyl-3-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-ol
CID 64791303
1-amino-2-cyclopropyl-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propan-2-ol
CID 104969021
3-[4-(dimethylamino)piperidin-1-yl]-2-methyl-2-(methylamino)propan-1-ol
CID 64795781
1-amino-2-cyclopropyl-3-(2-propylpiperidin-1-yl)propan-2-ol
CID 83057453
1-amino-4-[4-(dimethylamino)piperidin-1-yl]butan-2-ol
CID 64821111
1-amino-2-cyclopropyl-3-methoxypropan-2-ol
CID 64813573

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-cyclopropyl-3-[4-(dimethylamino)piperidin-1-yl]propan-2-ol?
The IUPAC name of 1-amino-2-cyclopropyl-3-[4-(dimethylamino)piperidin-1-yl]propan-2-ol (CID 64821112) is 1-amino-2-cyclopropyl-3-[4-(dimethylamino)piperidin-1-yl]propan-2-ol.
What is the SMILES notation for 1-amino-2-cyclopropyl-3-[4-(dimethylamino)piperidin-1-yl]propan-2-ol?
The canonical SMILES for 1-amino-2-cyclopropyl-3-[4-(dimethylamino)piperidin-1-yl]propan-2-ol is CN(C)C1CCN(CC(O)(CN)C2CC2)CC1.
What is the InChIKey of 1-amino-2-cyclopropyl-3-[4-(dimethylamino)piperidin-1-yl]propan-2-ol?
The InChIKey is ZSJFJUHRIOKPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-15(2)12-5-7-16(8-6-12)10-13(17,9-14)11-3-4-11/h11-12,17H,3-10,14H2,1-2H3.
What are the key properties of 1-amino-2-cyclopropyl-3-[4-(dimethylamino)piperidin-1-yl]propan-2-ol?
1-amino-2-cyclopropyl-3-[4-(dimethylamino)piperidin-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-(dimethylamino)piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 64821112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).