(1-hydroxycyclopropyl)-piperazin-2-ylmethanone

C8H14N2O2 — CID 91074535

IUPAC(1-hydroxycyclopropyl)-piperazin-2-ylmethanone
SMILESO=C(C1CNCCN1)C1(O)CC1
InChIInChI=1S/C8H14N2O2/c11-7(8(12)1-2-8)6-5-9-3-4-10-6/h6,9-10,12H,1-5H2
InChIKeyZHBKKAFHGYICEF-UHFFFAOYSA-N
MW170.21 g/mol
LogP-1.36
Rot. Bonds2

About (1-hydroxycyclopropyl)-piperazin-2-ylmethanone

(1-hydroxycyclopropyl)-piperazin-2-ylmethanone (PubChem CID 91074535) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is (1-hydroxycyclopropyl)-piperazin-2-ylmethanone.

Molecular Properties

Compound Name(1-hydroxycyclopropyl)-piperazin-2-ylmethanone
PubChem CID91074535
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name(1-hydroxycyclopropyl)-piperazin-2-ylmethanone
SMILESO=C(C1CNCCN1)C1(O)CC1
InChIInChI=1S/C8H14N2O2/c11-7(8(12)1-2-8)6-5-9-3-4-10-6/h6,9-10,12H,1-5H2
InChIKeyZHBKKAFHGYICEF-UHFFFAOYSA-N
XLogP-1.36
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-1.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

piperazine-2-carboxylic acid
CID 2723758
piperazine-2-carboxylic acid;hydrochloride
CID 52987850
1-(1,4,7,10-tetrazacyclododec-2-yl)ethanone
CID 22113791
N,N-dimethylpiperazine-2-carboxamide
CID 21295694
acetic acid;piperazine-2-carboxamide
CID 174786994
acetic acid;piperazine-2-carboxamide
CID 14877963
ethyl piperazine-2-carboxylate
CID 10633257
N-cyclopropylpiperazine-2-carboxamide
CID 83806832
azocan-1-yl(piperazin-2-yl)methanone
CID 63104167
(2R)-N-(2-hydroxyethyl)piperazine-2-carboxamide
CID 129371742
(2S)-piperazine-2-carboxylic acid;(2S)-piperidine-2-carboxylic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 158458864
2-[(E)-but-2-en-2-yl]piperazine;ethane
CID 169255491

Frequently Asked Questions

What is the IUPAC name of (1-hydroxycyclopropyl)-piperazin-2-ylmethanone?
The IUPAC name of (1-hydroxycyclopropyl)-piperazin-2-ylmethanone (CID 91074535) is (1-hydroxycyclopropyl)-piperazin-2-ylmethanone.
What is the SMILES notation for (1-hydroxycyclopropyl)-piperazin-2-ylmethanone?
The canonical SMILES for (1-hydroxycyclopropyl)-piperazin-2-ylmethanone is O=C(C1CNCCN1)C1(O)CC1.
What is the InChIKey of (1-hydroxycyclopropyl)-piperazin-2-ylmethanone?
The InChIKey is ZHBKKAFHGYICEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c11-7(8(12)1-2-8)6-5-9-3-4-10-6/h6,9-10,12H,1-5H2.
What are the key properties of (1-hydroxycyclopropyl)-piperazin-2-ylmethanone?
(1-hydroxycyclopropyl)-piperazin-2-ylmethanone has a molecular weight of 170.21 g/mol, XLogP of -1.36, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxycyclopropyl)-piperazin-2-ylmethanone is sourced from PubChem (CID 91074535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).