2-(4-hydroxypiperidin-1-yl)-1-(4-prop-2-ynylpiperazin-1-yl)ethanone

C14H23N3O2 — CID 111544194

IUPAC2-(4-hydroxypiperidin-1-yl)-1-(4-prop-2-ynylpiperazin-1-yl)ethanone
SMILESC#CCN1CCN(C(=O)CN2CCC(O)CC2)CC1
InChIInChI=1S/C14H23N3O2/c1-2-5-15-8-10-17(11-9-15)14(19)12-16-6-3-13(18)4-7-16/h1,13,18H,3-12H2
InChIKeyDRWCHWDWCQHWLO-UHFFFAOYSA-N
MW265.36 g/mol
LogP-0.78
Rot. Bonds3

About 2-(4-hydroxypiperidin-1-yl)-1-(4-prop-2-ynylpiperazin-1-yl)ethanone

2-(4-hydroxypiperidin-1-yl)-1-(4-prop-2-ynylpiperazin-1-yl)ethanone (PubChem CID 111544194) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-(4-hydroxypiperidin-1-yl)-1-(4-prop-2-ynylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-hydroxypiperidin-1-yl)-1-(4-prop-2-ynylpiperazin-1-yl)ethanone
PubChem CID111544194
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-(4-hydroxypiperidin-1-yl)-1-(4-prop-2-ynylpiperazin-1-yl)ethanone
SMILESC#CCN1CCN(C(=O)CN2CCC(O)CC2)CC1
InChIInChI=1S/C14H23N3O2/c1-2-5-15-8-10-17(11-9-15)14(19)12-16-6-3-13(18)4-7-16/h1,13,18H,3-12H2
InChIKeyDRWCHWDWCQHWLO-UHFFFAOYSA-N
XLogP-0.78
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-prop-2-ynylpiperidin-4-ol;hydrochloride
CID 146626948
N-tert-butyl-2-[4-[2-(4-hydroxypiperidin-1-yl)acetyl]piperazin-1-yl]acetamide
CID 26518929
2-hydroxy-1-(4-prop-2-ynylpiperazin-1-yl)ethanone
CID 130608896
2-(cyclopropylmethylamino)-1-(4-prop-2-ynylpiperazin-1-yl)ethanone
CID 54873746
1-(azocan-1-yl)-2-(3-hydroxypyrrolidin-1-yl)ethanone
CID 62917489
1-(azepan-1-yl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 78962281
2-(4-methylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 39903910
(4-hydroxypyrrolidin-2-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 54873709
1-(4-ethylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)ethanone
CID 59555423
2-(4-acetylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone
CID 14226088
4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxylic acid
CID 22047729
1-prop-2-ynylpyrrolidine-3-carboxamide
CID 87958018

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxypiperidin-1-yl)-1-(4-prop-2-ynylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(4-hydroxypiperidin-1-yl)-1-(4-prop-2-ynylpiperazin-1-yl)ethanone (CID 111544194) is 2-(4-hydroxypiperidin-1-yl)-1-(4-prop-2-ynylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(4-hydroxypiperidin-1-yl)-1-(4-prop-2-ynylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(4-hydroxypiperidin-1-yl)-1-(4-prop-2-ynylpiperazin-1-yl)ethanone is C#CCN1CCN(C(=O)CN2CCC(O)CC2)CC1.
What is the InChIKey of 2-(4-hydroxypiperidin-1-yl)-1-(4-prop-2-ynylpiperazin-1-yl)ethanone?
The InChIKey is DRWCHWDWCQHWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-2-5-15-8-10-17(11-9-15)14(19)12-16-6-3-13(18)4-7-16/h1,13,18H,3-12H2.
What are the key properties of 2-(4-hydroxypiperidin-1-yl)-1-(4-prop-2-ynylpiperazin-1-yl)ethanone?
2-(4-hydroxypiperidin-1-yl)-1-(4-prop-2-ynylpiperazin-1-yl)ethanone has a molecular weight of 265.36 g/mol, XLogP of -0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxypiperidin-1-yl)-1-(4-prop-2-ynylpiperazin-1-yl)ethanone is sourced from PubChem (CID 111544194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).