2-(cyclopropylmethoxy)-1-[4-(2-hydroxypropyl)piperazin-1-yl]propan-1-one

C14H26N2O3 — CID 56802515

IUPAC2-(cyclopropylmethoxy)-1-[4-(2-hydroxypropyl)piperazin-1-yl]propan-1-one
SMILESCC(O)CN1CCN(C(=O)C(C)OCC2CC2)CC1
InChIInChI=1S/C14H26N2O3/c1-11(17)9-15-5-7-16(8-6-15)14(18)12(2)19-10-13-3-4-13/h11-13,17H,3-10H2,1-2H3
InChIKeyTYMJMGSBZFQWJW-UHFFFAOYSA-N
MW270.37 g/mol
LogP0.33
Rot. Bonds6

About 2-(cyclopropylmethoxy)-1-[4-(2-hydroxypropyl)piperazin-1-yl]propan-1-one

2-(cyclopropylmethoxy)-1-[4-(2-hydroxypropyl)piperazin-1-yl]propan-1-one (PubChem CID 56802515) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-1-[4-(2-hydroxypropyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-1-[4-(2-hydroxypropyl)piperazin-1-yl]propan-1-one
PubChem CID56802515
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-(cyclopropylmethoxy)-1-[4-(2-hydroxypropyl)piperazin-1-yl]propan-1-one
SMILESCC(O)CN1CCN(C(=O)C(C)OCC2CC2)CC1
InChIInChI=1S/C14H26N2O3/c1-11(17)9-15-5-7-16(8-6-15)14(18)12(2)19-10-13-3-4-13/h11-13,17H,3-10H2,1-2H3
InChIKeyTYMJMGSBZFQWJW-UHFFFAOYSA-N
XLogP0.33
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(cyclopropylmethoxy)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]propan-1-one
CID 95601906
(2S)-2-(cyclopropylmethoxy)-1-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]propan-1-one
CID 95601907
(2R)-2-but-3-enoxy-1-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]propan-1-one
CID 95348371
2-(cyclopropylmethoxy)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one
CID 110023213
cyclopropyl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 82113410
(2S)-2-(cyclopropylmethoxy)-1-[4-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]propan-1-one
CID 95339396
(2S)-4-[(2S)-2-(cyclopropylmethoxy)propanoyl]morpholine-2-carboxylic acid
CID 125152151
1-[4,7-bis(2-hydroxypropyl)-1,4,7-triazonan-1-yl]propan-2-ol
CID 4961557
(2S)-1-[4,7-bis[(2S)-2-hydroxypropyl]-1,4,7-triazonan-1-yl]propan-2-ol
CID 10935575
cyclohexyl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 82120186
N-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl]acetamide
CID 106932924
1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-methoxyethanone
CID 95606801

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-1-[4-(2-hydroxypropyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2-(cyclopropylmethoxy)-1-[4-(2-hydroxypropyl)piperazin-1-yl]propan-1-one (CID 56802515) is 2-(cyclopropylmethoxy)-1-[4-(2-hydroxypropyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-(cyclopropylmethoxy)-1-[4-(2-hydroxypropyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-(cyclopropylmethoxy)-1-[4-(2-hydroxypropyl)piperazin-1-yl]propan-1-one is CC(O)CN1CCN(C(=O)C(C)OCC2CC2)CC1.
What is the InChIKey of 2-(cyclopropylmethoxy)-1-[4-(2-hydroxypropyl)piperazin-1-yl]propan-1-one?
The InChIKey is TYMJMGSBZFQWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-11(17)9-15-5-7-16(8-6-15)14(18)12(2)19-10-13-3-4-13/h11-13,17H,3-10H2,1-2H3.
What are the key properties of 2-(cyclopropylmethoxy)-1-[4-(2-hydroxypropyl)piperazin-1-yl]propan-1-one?
2-(cyclopropylmethoxy)-1-[4-(2-hydroxypropyl)piperazin-1-yl]propan-1-one has a molecular weight of 270.37 g/mol, XLogP of 0.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-1-[4-(2-hydroxypropyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 56802515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).