2-[3-hydroxypropyl(propan-2-yl)amino]-1-(4-methylpiperidin-1-yl)ethanone

C14H28N2O2 — CID 62020113

IUPAC2-[3-hydroxypropyl(propan-2-yl)amino]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)CN(CCCO)C(C)C)CC1
InChIInChI=1S/C14H28N2O2/c1-12(2)16(7-4-10-17)11-14(18)15-8-5-13(3)6-9-15/h12-13,17H,4-11H2,1-3H3
InChIKeySAWLEZJZASOYLX-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.34
Rot. Bonds6

About 2-[3-hydroxypropyl(propan-2-yl)amino]-1-(4-methylpiperidin-1-yl)ethanone

2-[3-hydroxypropyl(propan-2-yl)amino]-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 62020113) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-[3-hydroxypropyl(propan-2-yl)amino]-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[3-hydroxypropyl(propan-2-yl)amino]-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID62020113
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-[3-hydroxypropyl(propan-2-yl)amino]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)CN(CCCO)C(C)C)CC1
InChIInChI=1S/C14H28N2O2/c1-12(2)16(7-4-10-17)11-14(18)15-8-5-13(3)6-9-15/h12-13,17H,4-11H2,1-3H3
InChIKeySAWLEZJZASOYLX-UHFFFAOYSA-N
XLogP1.34
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azocan-1-yl)-2-[2-hydroxyethyl(propan-2-yl)amino]ethanone
CID 60696591
1-(2-ethylpiperidin-1-yl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone
CID 62021216
4-[(2-oxo-2-pyrrolidin-1-ylethyl)-propan-2-ylamino]butanoic acid
CID 54925850
2-[3-aminopropyl(propan-2-yl)amino]-1-(azepan-1-yl)ethanone
CID 43137448
2-[2-hydroxypropyl(methyl)amino]-1-(4-methylpiperidin-1-yl)ethanone
CID 62332786
3-[[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-propan-2-ylamino]propanoic acid
CID 60834885
2-hydroxy-1-(4-methylpiperidin-1-yl)ethanone
CID 16769494
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone
CID 62020846
4-methyl-N-propan-2-yl-N-propylpiperidine-1-carboxamide
CID 116654160
N-[3-(dimethylamino)propyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113160775
2-[2-aminoethyl(propan-2-yl)amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 61348571
2-hydroxy-1-(4-methylpiperidin-1-yl)ethanone;propane
CID 153363552

Frequently Asked Questions

What is the IUPAC name of 2-[3-hydroxypropyl(propan-2-yl)amino]-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[3-hydroxypropyl(propan-2-yl)amino]-1-(4-methylpiperidin-1-yl)ethanone (CID 62020113) is 2-[3-hydroxypropyl(propan-2-yl)amino]-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[3-hydroxypropyl(propan-2-yl)amino]-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[3-hydroxypropyl(propan-2-yl)amino]-1-(4-methylpiperidin-1-yl)ethanone is CC1CCN(C(=O)CN(CCCO)C(C)C)CC1.
What is the InChIKey of 2-[3-hydroxypropyl(propan-2-yl)amino]-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is SAWLEZJZASOYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-12(2)16(7-4-10-17)11-14(18)15-8-5-13(3)6-9-15/h12-13,17H,4-11H2,1-3H3.
What are the key properties of 2-[3-hydroxypropyl(propan-2-yl)amino]-1-(4-methylpiperidin-1-yl)ethanone?
2-[3-hydroxypropyl(propan-2-yl)amino]-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 256.39 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-hydroxypropyl(propan-2-yl)amino]-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 62020113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).