1-[(5-chlorothiophen-2-yl)methyl]-2,5-dicyclopropyl-2-methylpiperazine

C16H23ClN2S — CID 64859591

IUPAC1-[(5-chlorothiophen-2-yl)methyl]-2,5-dicyclopropyl-2-methylpiperazine
SMILESCC1(C2CC2)CNC(C2CC2)CN1Cc1ccc(Cl)s1
InChIInChI=1S/C16H23ClN2S/c1-16(12-4-5-12)10-18-14(11-2-3-11)9-19(16)8-13-6-7-15(17)20-13/h6-7,11-12,14,18H,2-5,8-10H2,1H3
InChIKeyVEFOQTZCUPMQOJ-UHFFFAOYSA-N
MW310.89 g/mol
LogP3.75
Rot. Bonds4

About 1-[(5-chlorothiophen-2-yl)methyl]-2,5-dicyclopropyl-2-methylpiperazine

1-[(5-chlorothiophen-2-yl)methyl]-2,5-dicyclopropyl-2-methylpiperazine (PubChem CID 64859591) has the molecular formula C16H23ClN2S and a molecular weight of 310.89 g/mol. Its IUPAC name is 1-[(5-chlorothiophen-2-yl)methyl]-2,5-dicyclopropyl-2-methylpiperazine.

Molecular Properties

Compound Name1-[(5-chlorothiophen-2-yl)methyl]-2,5-dicyclopropyl-2-methylpiperazine
PubChem CID64859591
Molecular FormulaC16H23ClN2S
Molecular Weight310.89 g/mol
Exact Mass310.13
IUPAC Name1-[(5-chlorothiophen-2-yl)methyl]-2,5-dicyclopropyl-2-methylpiperazine
SMILESCC1(C2CC2)CNC(C2CC2)CN1Cc1ccc(Cl)s1
InChIInChI=1S/C16H23ClN2S/c1-16(12-4-5-12)10-18-14(11-2-3-11)9-19(16)8-13-6-7-15(17)20-13/h6-7,11-12,14,18H,2-5,8-10H2,1H3
InChIKeyVEFOQTZCUPMQOJ-UHFFFAOYSA-N
XLogP3.75
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.89
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-chlorothiophen-2-yl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine
CID 64861491
1-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyl-2-methyl-5-(2-methylpropyl)piperazine
CID 64847233
1-[(3-bromothiophen-2-yl)methyl]-2,5-dicyclopropyl-2-methylpiperazine
CID 64860355
2,5-dicyclopropyl-2-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine
CID 82872478
1-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-2,2-dimethylpiperazine
CID 64841778
2,5-dicyclopropyl-1-(2-fluoroethyl)-2-methylpiperazine
CID 80698037
2,5-dicyclopropyl-2-methyl-1-(2-pyrazol-1-ylethyl)piperazine
CID 64862475
1-[(5-chlorothiophen-2-yl)methyl]-5-cyclopropyl-5-methyl-2-propylpiperazine
CID 64876915
2,5-dicyclopropyl-1-(3-methoxypropyl)-2-methylpiperazine
CID 64859583
5-butan-2-yl-1-[(5-chlorothiophen-2-yl)methyl]-2,2-dimethylpiperazine
CID 64847871
1-[(4-chlorophenyl)methyl]-2-cyclopropyl-5-ethyl-2-methylpiperazine
CID 64842191
1-[(5-chlorothiophen-2-yl)methyl]-3,7-dimethyl-1,4-diazepane
CID 64870175

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-2,5-dicyclopropyl-2-methylpiperazine?
The IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-2,5-dicyclopropyl-2-methylpiperazine (CID 64859591) is 1-[(5-chlorothiophen-2-yl)methyl]-2,5-dicyclopropyl-2-methylpiperazine.
What is the SMILES notation for 1-[(5-chlorothiophen-2-yl)methyl]-2,5-dicyclopropyl-2-methylpiperazine?
The canonical SMILES for 1-[(5-chlorothiophen-2-yl)methyl]-2,5-dicyclopropyl-2-methylpiperazine is CC1(C2CC2)CNC(C2CC2)CN1Cc1ccc(Cl)s1.
What is the InChIKey of 1-[(5-chlorothiophen-2-yl)methyl]-2,5-dicyclopropyl-2-methylpiperazine?
The InChIKey is VEFOQTZCUPMQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2S/c1-16(12-4-5-12)10-18-14(11-2-3-11)9-19(16)8-13-6-7-15(17)20-13/h6-7,11-12,14,18H,2-5,8-10H2,1H3.
What are the key properties of 1-[(5-chlorothiophen-2-yl)methyl]-2,5-dicyclopropyl-2-methylpiperazine?
1-[(5-chlorothiophen-2-yl)methyl]-2,5-dicyclopropyl-2-methylpiperazine has a molecular weight of 310.89 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chlorothiophen-2-yl)methyl]-2,5-dicyclopropyl-2-methylpiperazine is sourced from PubChem (CID 64859591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).