4-(thiophen-2-ylmethyl)piperazine-1-carbaldehyde

C10H14N2OS — CID 60679812

IUPAC4-(thiophen-2-ylmethyl)piperazine-1-carbaldehyde
SMILESO=CN1CCN(Cc2cccs2)CC1
InChIInChI=1S/C10H14N2OS/c13-9-12-5-3-11(4-6-12)8-10-2-1-7-14-10/h1-2,7,9H,3-6,8H2
InChIKeyVHUFCCFHVRRXTA-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.02
Rot. Bonds3

About 4-(thiophen-2-ylmethyl)piperazine-1-carbaldehyde

4-(thiophen-2-ylmethyl)piperazine-1-carbaldehyde (PubChem CID 60679812) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 4-(thiophen-2-ylmethyl)piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-(thiophen-2-ylmethyl)piperazine-1-carbaldehyde
PubChem CID60679812
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name4-(thiophen-2-ylmethyl)piperazine-1-carbaldehyde
SMILESO=CN1CCN(Cc2cccs2)CC1
InChIInChI=1S/C10H14N2OS/c13-9-12-5-3-11(4-6-12)8-10-2-1-7-14-10/h1-2,7,9H,3-6,8H2
InChIKeyVHUFCCFHVRRXTA-UHFFFAOYSA-N
XLogP1.02
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(thiophen-2-ylmethyl)thiomorpholine
CID 792399
1-(thiophen-2-ylmethyl)piperidin-4-one
CID 18001837
1-(thiophen-2-ylmethyl)piperazine
CID 566208
3,9-bis(thiophen-2-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 97370579
3-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanoic acid
CID 43397030
1-(bromomethylsulfonyl)-4-(thiophen-2-ylmethyl)piperazine
CID 83084047
2-sulfanyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 146037585
propane;4-(thiophen-2-ylmethyl)morpholine
CID 142296614
1-(thiophen-2-ylmethyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-ylidene]amino]piperidin-4-imine
CID 139216002
N-phenyl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 17185519
(E)-3-thiophen-2-yl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]prop-2-en-1-one
CID 78801518
1-(2-bromoethyl)-4-(thiophen-2-ylmethyl)-1,4-diazepane
CID 80667707

Frequently Asked Questions

What is the IUPAC name of 4-(thiophen-2-ylmethyl)piperazine-1-carbaldehyde?
The IUPAC name of 4-(thiophen-2-ylmethyl)piperazine-1-carbaldehyde (CID 60679812) is 4-(thiophen-2-ylmethyl)piperazine-1-carbaldehyde.
What is the SMILES notation for 4-(thiophen-2-ylmethyl)piperazine-1-carbaldehyde?
The canonical SMILES for 4-(thiophen-2-ylmethyl)piperazine-1-carbaldehyde is O=CN1CCN(Cc2cccs2)CC1.
What is the InChIKey of 4-(thiophen-2-ylmethyl)piperazine-1-carbaldehyde?
The InChIKey is VHUFCCFHVRRXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c13-9-12-5-3-11(4-6-12)8-10-2-1-7-14-10/h1-2,7,9H,3-6,8H2.
What are the key properties of 4-(thiophen-2-ylmethyl)piperazine-1-carbaldehyde?
4-(thiophen-2-ylmethyl)piperazine-1-carbaldehyde has a molecular weight of 210.30 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thiophen-2-ylmethyl)piperazine-1-carbaldehyde is sourced from PubChem (CID 60679812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).