2-amino-2-cyclopropyl-1-(4-hydroxy-4-methylpiperidin-1-yl)propan-1-one

C12H22N2O2 — CID 81103870

IUPAC2-amino-2-cyclopropyl-1-(4-hydroxy-4-methylpiperidin-1-yl)propan-1-one
SMILESCC1(O)CCN(C(=O)C(C)(N)C2CC2)CC1
InChIInChI=1S/C12H22N2O2/c1-11(16)5-7-14(8-6-11)10(15)12(2,13)9-3-4-9/h9,16H,3-8,13H2,1-2H3
InChIKeyOPFAXOCWXFMSGR-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.49
Rot. Bonds2

About 2-amino-2-cyclopropyl-1-(4-hydroxy-4-methylpiperidin-1-yl)propan-1-one

2-amino-2-cyclopropyl-1-(4-hydroxy-4-methylpiperidin-1-yl)propan-1-one (PubChem CID 81103870) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-1-(4-hydroxy-4-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-1-(4-hydroxy-4-methylpiperidin-1-yl)propan-1-one
PubChem CID81103870
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-amino-2-cyclopropyl-1-(4-hydroxy-4-methylpiperidin-1-yl)propan-1-one
SMILESCC1(O)CCN(C(=O)C(C)(N)C2CC2)CC1
InChIInChI=1S/C12H22N2O2/c1-11(16)5-7-14(8-6-11)10(15)12(2,13)9-3-4-9/h9,16H,3-8,13H2,1-2H3
InChIKeyOPFAXOCWXFMSGR-UHFFFAOYSA-N
XLogP0.49
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-cyclopropyl-1-(7,7-dimethyl-1,4-thiazepan-4-yl)propan-1-one
CID 107454692
2-amino-2-ethyl-1-(4-hydroxy-4-methylpiperidin-1-yl)butan-1-one
CID 81103514
methyl 4-(2-amino-2-cyclopropylpropanoyl)piperazine-1-carboxylate
CID 54916371
2-amino-2-cyclopropyl-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)propan-1-one
CID 107220270
2-fluoro-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropan-1-one
CID 126972962
2-amino-2-cyclopropyl-1-(4-propylpiperidin-1-yl)propan-1-one
CID 55050370
2-amino-2-cyclopropyl-1-(3-hydroxypyrrolidin-1-yl)propan-1-one
CID 62942113
1-[4-(2-amino-2-cyclopropylpropanoyl)piperazin-1-yl]-3-methylbutan-1-one
CID 60946615
4-(2-amino-2-cyclopropylpropanoyl)-N,N-diethylpiperazine-1-carboxamide
CID 60964288
2-amino-2-cyclopropyl-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one
CID 54873596
(2R)-2-amino-2-cyclopropyl-1-[4-[2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]ethyl]piperazin-1-yl]propan-1-one
CID 125147380
2-[1-(2-amino-2-cyclopropylpropanoyl)piperidin-4-yl]oxyacetic acid
CID 63877468

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-1-(4-hydroxy-4-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 2-amino-2-cyclopropyl-1-(4-hydroxy-4-methylpiperidin-1-yl)propan-1-one (CID 81103870) is 2-amino-2-cyclopropyl-1-(4-hydroxy-4-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 2-amino-2-cyclopropyl-1-(4-hydroxy-4-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 2-amino-2-cyclopropyl-1-(4-hydroxy-4-methylpiperidin-1-yl)propan-1-one is CC1(O)CCN(C(=O)C(C)(N)C2CC2)CC1.
What is the InChIKey of 2-amino-2-cyclopropyl-1-(4-hydroxy-4-methylpiperidin-1-yl)propan-1-one?
The InChIKey is OPFAXOCWXFMSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-11(16)5-7-14(8-6-11)10(15)12(2,13)9-3-4-9/h9,16H,3-8,13H2,1-2H3.
What are the key properties of 2-amino-2-cyclopropyl-1-(4-hydroxy-4-methylpiperidin-1-yl)propan-1-one?
2-amino-2-cyclopropyl-1-(4-hydroxy-4-methylpiperidin-1-yl)propan-1-one has a molecular weight of 226.32 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-1-(4-hydroxy-4-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 81103870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).