1-[[5-[3-(3,6-dihydro-2H-pyran-4-yl)phenyl]thiophen-2-yl]methyl]piperazine

C20H24N2OS — CID 167909036

IUPAC1-[[5-[3-(3,6-dihydro-2H-pyran-4-yl)phenyl]thiophen-2-yl]methyl]piperazine
SMILESC1=C(c2cccc(-c3ccc(CN4CCNCC4)s3)c2)CCOC1
InChIInChI=1S/C20H24N2OS/c1-2-17(16-6-12-23-13-7-16)14-18(3-1)20-5-4-19(24-20)15-22-10-8-21-9-11-22/h1-6,14,21H,7-13,15H2
InChIKeyVYQWBYJJGUFXSF-UHFFFAOYSA-N
MW340.49 g/mol
LogP3.62
Rot. Bonds4

About 1-[[5-[3-(3,6-dihydro-2H-pyran-4-yl)phenyl]thiophen-2-yl]methyl]piperazine

1-[[5-[3-(3,6-dihydro-2H-pyran-4-yl)phenyl]thiophen-2-yl]methyl]piperazine (PubChem CID 167909036) has the molecular formula C20H24N2OS and a molecular weight of 340.49 g/mol. Its IUPAC name is 1-[[5-[3-(3,6-dihydro-2H-pyran-4-yl)phenyl]thiophen-2-yl]methyl]piperazine.

Molecular Properties

Compound Name1-[[5-[3-(3,6-dihydro-2H-pyran-4-yl)phenyl]thiophen-2-yl]methyl]piperazine
PubChem CID167909036
Molecular FormulaC20H24N2OS
Molecular Weight340.49 g/mol
Exact Mass340.16
IUPAC Name1-[[5-[3-(3,6-dihydro-2H-pyran-4-yl)phenyl]thiophen-2-yl]methyl]piperazine
SMILESC1=C(c2cccc(-c3ccc(CN4CCNCC4)s3)c2)CCOC1
InChIInChI=1S/C20H24N2OS/c1-2-17(16-6-12-23-13-7-16)14-18(3-1)20-5-4-19(24-20)15-22-10-8-21-9-11-22/h1-6,14,21H,7-13,15H2
InChIKeyVYQWBYJJGUFXSF-UHFFFAOYSA-N
XLogP3.62
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperazine;hydrochloride
CID 120833629
1-methyl-6-[4-[5-(piperazin-1-ylmethyl)thiophen-2-yl]phenyl]benzotriazole
CID 167903197
1-[[5-(trifluoromethyl)thiophen-2-yl]methyl]piperazine;hydrochloride
CID 120833623
1-(4-fluorophenyl)-4-[(5-phenylthiophen-2-yl)methyl]piperazine
CID 22762532
methanol;4-[(5-pyridin-3-ylthiophen-2-yl)methyl]morpholine
CID 144647017
4-[[5-(4-ethenylphenyl)thiophen-2-yl]methyl]morpholine
CID 143391178
3-[1-[(5-phenylthiophen-2-yl)methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 120826361
1-[(5-ethylthiophen-2-yl)methyl]-1,4-diazepane
CID 24704411
4-[5-(piperidin-1-ylmethyl)thiophen-2-yl]benzoic acid
CID 58256876
1-(thiophen-2-ylmethyl)piperazine
CID 566208
1-[[7-(trifluoromethyl)-1-benzothiophen-2-yl]methyl]piperazine
CID 117196518
9-[(5-phenylthiophen-2-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 56912689

Frequently Asked Questions

What is the IUPAC name of 1-[[5-[3-(3,6-dihydro-2H-pyran-4-yl)phenyl]thiophen-2-yl]methyl]piperazine?
The IUPAC name of 1-[[5-[3-(3,6-dihydro-2H-pyran-4-yl)phenyl]thiophen-2-yl]methyl]piperazine (CID 167909036) is 1-[[5-[3-(3,6-dihydro-2H-pyran-4-yl)phenyl]thiophen-2-yl]methyl]piperazine.
What is the SMILES notation for 1-[[5-[3-(3,6-dihydro-2H-pyran-4-yl)phenyl]thiophen-2-yl]methyl]piperazine?
The canonical SMILES for 1-[[5-[3-(3,6-dihydro-2H-pyran-4-yl)phenyl]thiophen-2-yl]methyl]piperazine is C1=C(c2cccc(-c3ccc(CN4CCNCC4)s3)c2)CCOC1.
What is the InChIKey of 1-[[5-[3-(3,6-dihydro-2H-pyran-4-yl)phenyl]thiophen-2-yl]methyl]piperazine?
The InChIKey is VYQWBYJJGUFXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2OS/c1-2-17(16-6-12-23-13-7-16)14-18(3-1)20-5-4-19(24-20)15-22-10-8-21-9-11-22/h1-6,14,21H,7-13,15H2.
What are the key properties of 1-[[5-[3-(3,6-dihydro-2H-pyran-4-yl)phenyl]thiophen-2-yl]methyl]piperazine?
1-[[5-[3-(3,6-dihydro-2H-pyran-4-yl)phenyl]thiophen-2-yl]methyl]piperazine has a molecular weight of 340.49 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[3-(3,6-dihydro-2H-pyran-4-yl)phenyl]thiophen-2-yl]methyl]piperazine is sourced from PubChem (CID 167909036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).