3-(ethylamino)-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-methylpropan-1-one

C13H26N2O2 — CID 106835868

IUPAC3-(ethylamino)-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-methylpropan-1-one
SMILESCCNCC(C)C(=O)N1CCC(C(C)O)CC1
InChIInChI=1S/C13H26N2O2/c1-4-14-9-10(2)13(17)15-7-5-12(6-8-15)11(3)16/h10-12,14,16H,4-9H2,1-3H3
InChIKeyVBLLSIKENVKYSP-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.85
Rot. Bonds5

About 3-(ethylamino)-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-methylpropan-1-one

3-(ethylamino)-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 106835868) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-(ethylamino)-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name3-(ethylamino)-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-methylpropan-1-one
PubChem CID106835868
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name3-(ethylamino)-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-methylpropan-1-one
SMILESCCNCC(C)C(=O)N1CCC(C(C)O)CC1
InChIInChI=1S/C13H26N2O2/c1-4-14-9-10(2)13(17)15-7-5-12(6-8-15)11(3)16/h10-12,14,16H,4-9H2,1-3H3
InChIKeyVBLLSIKENVKYSP-UHFFFAOYSA-N
XLogP0.85
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azocan-1-yl)-3-(ethylamino)-2-methylpropan-1-one
CID 62852509
1-(4-cyclopropylpiperazin-1-yl)-3-(ethylamino)-2-methylpropan-1-one
CID 62851691
3-(ethylamino)-2-methyl-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 62854000
1-[3-(diethylamino)pyrrolidin-1-yl]-3-(ethylamino)-2-methylpropan-1-one
CID 63167112
1-(4-acetyl-1,4-diazepan-1-yl)-3-(ethylamino)-2-methylpropan-1-one
CID 62839640
1-[3-(ethylamino)-2-methylpropanoyl]-N-methylpiperidine-3-carboxamide
CID 103195276
1-(3,6-dihydro-2H-pyridin-1-yl)-3-(ethylamino)-2-methylpropan-1-one
CID 114408986
[1-[4-(1-hydroxyethyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]urea
CID 106837135
3-(ethylamino)-2-methyl-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one
CID 114536739
(2R)-2-chloro-1-[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]propan-1-one
CID 129410243
3-(ethylamino)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 62839819
4-ethyl-1-[3-(ethylamino)-2-methylpropanoyl]piperidine-4-carboxylic acid
CID 55177384

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 3-(ethylamino)-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-methylpropan-1-one (CID 106835868) is 3-(ethylamino)-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 3-(ethylamino)-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 3-(ethylamino)-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-methylpropan-1-one is CCNCC(C)C(=O)N1CCC(C(C)O)CC1.
What is the InChIKey of 3-(ethylamino)-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is VBLLSIKENVKYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-14-9-10(2)13(17)15-7-5-12(6-8-15)11(3)16/h10-12,14,16H,4-9H2,1-3H3.
What are the key properties of 3-(ethylamino)-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-methylpropan-1-one?
3-(ethylamino)-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 242.36 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 106835868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).