1-[(4,5-dimethylthiophen-2-yl)methyl]-4-(6-propan-2-yl-2-pyridinyl)piperazine

C19H27N3S — CID 56718453

IUPAC1-[(4,5-dimethylthiophen-2-yl)methyl]-4-(6-propan-2-yl-2-pyridinyl)piperazine
SMILESCc1cc(CN2CCN(c3cccc(C(C)C)n3)CC2)sc1C
InChIInChI=1S/C19H27N3S/c1-14(2)18-6-5-7-19(20-18)22-10-8-21(9-11-22)13-17-12-15(3)16(4)23-17/h5-7,12,14H,8-11,13H2,1-4H3
InChIKeyPDZQZBFOMSRPFV-UHFFFAOYSA-N
MW329.51 g/mol
LogP4.21
Rot. Bonds4

About 1-[(4,5-dimethylthiophen-2-yl)methyl]-4-(6-propan-2-yl-2-pyridinyl)piperazine

1-[(4,5-dimethylthiophen-2-yl)methyl]-4-(6-propan-2-yl-2-pyridinyl)piperazine (PubChem CID 56718453) has the molecular formula C19H27N3S and a molecular weight of 329.51 g/mol. Its IUPAC name is 1-[(4,5-dimethylthiophen-2-yl)methyl]-4-(6-propan-2-yl-2-pyridinyl)piperazine.

Molecular Properties

Compound Name1-[(4,5-dimethylthiophen-2-yl)methyl]-4-(6-propan-2-yl-2-pyridinyl)piperazine
PubChem CID56718453
Molecular FormulaC19H27N3S
Molecular Weight329.51 g/mol
Exact Mass329.19
IUPAC Name1-[(4,5-dimethylthiophen-2-yl)methyl]-4-(6-propan-2-yl-2-pyridinyl)piperazine
SMILESCc1cc(CN2CCN(c3cccc(C(C)C)n3)CC2)sc1C
InChIInChI=1S/C19H27N3S/c1-14(2)18-6-5-7-19(20-18)22-10-8-21(9-11-22)13-17-12-15(3)16(4)23-17/h5-7,12,14H,8-11,13H2,1-4H3
InChIKeyPDZQZBFOMSRPFV-UHFFFAOYSA-N
XLogP4.21
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.51
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethylthiophen-2-yl)methyl]-4-(6-propan-2-yl-2-pyridinyl)piperazine?
The IUPAC name of 1-[(4,5-dimethylthiophen-2-yl)methyl]-4-(6-propan-2-yl-2-pyridinyl)piperazine (CID 56718453) is 1-[(4,5-dimethylthiophen-2-yl)methyl]-4-(6-propan-2-yl-2-pyridinyl)piperazine.
What is the SMILES notation for 1-[(4,5-dimethylthiophen-2-yl)methyl]-4-(6-propan-2-yl-2-pyridinyl)piperazine?
The canonical SMILES for 1-[(4,5-dimethylthiophen-2-yl)methyl]-4-(6-propan-2-yl-2-pyridinyl)piperazine is Cc1cc(CN2CCN(c3cccc(C(C)C)n3)CC2)sc1C.
What is the InChIKey of 1-[(4,5-dimethylthiophen-2-yl)methyl]-4-(6-propan-2-yl-2-pyridinyl)piperazine?
The InChIKey is PDZQZBFOMSRPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3S/c1-14(2)18-6-5-7-19(20-18)22-10-8-21(9-11-22)13-17-12-15(3)16(4)23-17/h5-7,12,14H,8-11,13H2,1-4H3.
What are the key properties of 1-[(4,5-dimethylthiophen-2-yl)methyl]-4-(6-propan-2-yl-2-pyridinyl)piperazine?
1-[(4,5-dimethylthiophen-2-yl)methyl]-4-(6-propan-2-yl-2-pyridinyl)piperazine has a molecular weight of 329.51 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethylthiophen-2-yl)methyl]-4-(6-propan-2-yl-2-pyridinyl)piperazine is sourced from PubChem (CID 56718453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).