3-(cyclopropylamino)-1-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one

C13H24N2O2 — CID 107217060

IUPAC3-(cyclopropylamino)-1-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
SMILESO=C(CCNC1CC1)N1CCCC(CCO)C1
InChIInChI=1S/C13H24N2O2/c16-9-6-11-2-1-8-15(10-11)13(17)5-7-14-12-3-4-12/h11-12,14,16H,1-10H2
InChIKeyTYWAEMIODPKDFC-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.75
Rot. Bonds6

About 3-(cyclopropylamino)-1-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one

3-(cyclopropylamino)-1-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one (PubChem CID 107217060) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-(cyclopropylamino)-1-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(cyclopropylamino)-1-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
PubChem CID107217060
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name3-(cyclopropylamino)-1-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
SMILESO=C(CCNC1CC1)N1CCCC(CCO)C1
InChIInChI=1S/C13H24N2O2/c16-9-6-11-2-1-8-15(10-11)13(17)5-7-14-12-3-4-12/h11-12,14,16H,1-10H2
InChIKeyTYWAEMIODPKDFC-UHFFFAOYSA-N
XLogP0.75
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[3-(cyclopropylamino)propanoyl]piperidin-3-yl]methylurea
CID 54873222
3-bromo-1-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 107216510
2-chloro-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 107216511
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-(methylamino)propan-1-one
CID 114797505
7-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]heptan-1-one
CID 107216980
1-[3-(2-hydroxyethyl)piperidin-1-yl]heptan-1-one
CID 62356771
2-cyclohexyl-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 62372498
(3R)-3-(2-hydroxyethyl)piperidine-1-carboxylic acid
CID 69075758
2-tert-butylsulfanyl-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 55064897
1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-(oxolan-2-yl)propan-1-one
CID 62357278
2-ethoxy-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 62372171
3-(cyclopropylamino)-1-(1,4-oxazepan-4-yl)propan-1-one
CID 62972370

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-1-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(cyclopropylamino)-1-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one (CID 107217060) is 3-(cyclopropylamino)-1-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(cyclopropylamino)-1-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(cyclopropylamino)-1-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one is O=C(CCNC1CC1)N1CCCC(CCO)C1.
What is the InChIKey of 3-(cyclopropylamino)-1-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one?
The InChIKey is TYWAEMIODPKDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c16-9-6-11-2-1-8-15(10-11)13(17)5-7-14-12-3-4-12/h11-12,14,16H,1-10H2.
What are the key properties of 3-(cyclopropylamino)-1-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one?
3-(cyclopropylamino)-1-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one has a molecular weight of 240.35 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-1-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 107217060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).