(2S)-2-(furan-2-yl)piperazine-1-carbaldehyde

C9H12N2O2 — CID 124561846

IUPAC(2S)-2-(furan-2-yl)piperazine-1-carbaldehyde
SMILESO=CN1CCNC[C@H]1c1ccco1
InChIInChI=1S/C9H12N2O2/c12-7-11-4-3-10-6-8(11)9-2-1-5-13-9/h1-2,5,7-8,10H,3-4,6H2/t8-/m0/s1
InChIKeyVQHDYEXEDXYRMR-QMMMGPOBSA-N
MW180.21 g/mol
LogP0.38
Rot. Bonds2

About (2S)-2-(furan-2-yl)piperazine-1-carbaldehyde

(2S)-2-(furan-2-yl)piperazine-1-carbaldehyde (PubChem CID 124561846) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is (2S)-2-(furan-2-yl)piperazine-1-carbaldehyde.

Molecular Properties

Compound Name(2S)-2-(furan-2-yl)piperazine-1-carbaldehyde
PubChem CID124561846
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name(2S)-2-(furan-2-yl)piperazine-1-carbaldehyde
SMILESO=CN1CCNC[C@H]1c1ccco1
InChIInChI=1S/C9H12N2O2/c12-7-11-4-3-10-6-8(11)9-2-1-5-13-9/h1-2,5,7-8,10H,3-4,6H2/t8-/m0/s1
InChIKeyVQHDYEXEDXYRMR-QMMMGPOBSA-N
XLogP0.38
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-pyrimidin-2-ylpiperazine-1-carbaldehyde
CID 91615217
(2S)-2-(furan-2-yl)morpholine
CID 42182763
1-[2-(furan-2-yl)pyrrolidin-1-yl]prop-2-en-1-one
CID 51346068
(3R,7aR)-2-(4-fluorophenyl)-3-(furan-2-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
CID 11878355
3-(furan-2-yl)-4-methylpiperidine
CID 66271678
4-(furan-2-yl)pyrrolidine-3-carboxylic acid
CID 53398418
1-(furan-2-yl)-2-(trifluoromethyl)piperazine
CID 115101312
1-(furan-2-ylsulfonyl)-2-pyridin-3-ylpiperazine
CID 120876708
(2S)-2-(furan-2-yl)-1-methylpyrrolidine
CID 24894514
2-morpholin-4-ylpiperazine-1-carbaldehyde
CID 91666126
2-(2-naphthalen-1-ylacetyl)piperazine-1-carbaldehyde
CID 22614389
1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]ethanone
CID 124500835

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(furan-2-yl)piperazine-1-carbaldehyde?
The IUPAC name of (2S)-2-(furan-2-yl)piperazine-1-carbaldehyde (CID 124561846) is (2S)-2-(furan-2-yl)piperazine-1-carbaldehyde.
What is the SMILES notation for (2S)-2-(furan-2-yl)piperazine-1-carbaldehyde?
The canonical SMILES for (2S)-2-(furan-2-yl)piperazine-1-carbaldehyde is O=CN1CCNC[C@H]1c1ccco1.
What is the InChIKey of (2S)-2-(furan-2-yl)piperazine-1-carbaldehyde?
The InChIKey is VQHDYEXEDXYRMR-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H12N2O2/c12-7-11-4-3-10-6-8(11)9-2-1-5-13-9/h1-2,5,7-8,10H,3-4,6H2/t8-/m0/s1.
What are the key properties of (2S)-2-(furan-2-yl)piperazine-1-carbaldehyde?
(2S)-2-(furan-2-yl)piperazine-1-carbaldehyde has a molecular weight of 180.21 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(furan-2-yl)piperazine-1-carbaldehyde is sourced from PubChem (CID 124561846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).